Publications 2024


Lifecycle of Pd Clusters: Following the Formation and Evolution of Active Pd Clusters on Ceria During CO Oxidation by In Situ/Operando Characterization Techniques
Gashnikova, D.; Maurer, F.; Bauer, M. R.; Bernart, S.; Jelic, J.; Lützen, M.; Maliakkal, C. B.; Dolcet, P.; Studt, F.; Kübel, C.; Damsgaard, C. D.; Casapu, M.; Grunwaldt, J.-D.
2024. ACS Catalysis, 14 (19), 14871–14886. doi:10.1021/acscatal.4c02077
Supported Binuclear Gold Phosphine Complexes as CO Oxidation Catalysts: Insights into the Formation of Surface‐Stabilized Au Particles
Rang, F.; Delrieux, T.; Maurer, F.; Flecken, F.; Grunwaldt, J.-D.; Hanf, S.
2024. Small Science. doi:10.1002/smsc.202400345
On the secondary promotion effect of Al and Ga on Cu/ZnO methanol synthesis catalysts
Mockenhaupt, B.; Gieser, J.; Najafishirtari, S.; Baumgarten, L.; Jelic, J.; Lunkenbein, T.; Ras, E.-J.; Grunwaldt, J.-D.; Studt, F.; Behrens, M.
2024. Journal of Catalysis, 439, Art.-Nr.: 115785. doi:10.1016/j.jcat.2024.115785
RefXAS: an open access database of X-ray absorption spectra
Paripsa, S.; Gaur, A.; Förste, F.; Doronkin, D. E.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Welter, E.; Grunwaldt, J.-D.; Lützenkirchen-Hecht, D.
2024. Journal of Synchrotron Radiation, 31 (5), 1105–1117. doi:10.1107/S1600577524006751
Restructuring of Ag catalysts for methanol to formaldehyde conversion studied using in situ X-ray ptychography and electron microscopy
Das, S.; Kahnt, M.; van Valen, Y.; Bergh, T.; Blomberg, S.; Lyubomirskiy, M.; Schroer, C. G.; Venvik, H. J.; Sheppard, T. L.
2024. Catalysis Science & Technology, 14 (20), 5885–5898. doi:10.1039/D4CY00770K
Multimodal Hard X‐ray Nanotomography Probes Pore Accessibility of Technical Catalysts after Coking
Weber, S.; Karpov, D.; Kahnt, M.; Diaz, A.; Romanenko, Y.; Kotrel, S.; Haas, A.; Hinrichsen, B.; Bottke, N.; Grunwaldt, J.-D.; Schunk, S.; Sheppard, T. L.
2024. ChemCatChem, e202301298. doi:10.1002/cctc.202301298
Understanding the role of supported Rh atoms and clusters during hydroformylation and CO hydrogenation reactions with in situ / operando XAS and DRIFT spectroscopy
Sarma, B. B.; Neukum, D.; Doronkin, D. E.; Lakshmi Nilayam, A. R.; Baumgarten, L.; Krause, B.; Grunwaldt, J.-D.
2024. Chemical Science, 15 (31), 12369–12379. doi:10.1039/D4SC02907K
Following the Structural Changes of Iron Oxides during Reduction under Transient Conditions
Braun, L.; Spielmann, J.; Doronkin, D. E.; Kuhn, C.; Maliugin, A.; Sharapa, D. I.; Huck, I.; Bao, J.; Tischer, S.; Studt, F.; Deutschmann, O.; Kramm, U. I.; Grunwaldt, J.-D.
2024. ChemSusChem, Art.-Nr.: e202401045. doi:10.1002/cssc.202401045
Pd loading threshold for an efficient noble metal use in Pd/CeO2 methane oxidation catalysts
Zengel, D.; Marchuk, V.; Kurt, M.; Maurer, F.; Salcedo, A.; Michel, C.; Loffreda, D.; Aouine, M.; Loridant, S.; Vernoux, P.; Störmer, H.; Casapu, M.; Grunwaldt, J.-D.
2024. Applied Catalysis B: Environment and Energy, 358, Art.-Nr.: 124363. doi:10.1016/j.apcatb.2024.124363
X‐Ray Multibeam Ptychography at up to 20 keV: Nano‐Lithography Enhances X‐Ray Nano‐Imaging
Li, T.; Kahnt, M.; Sheppard, T. L.; Yang, R.; Falch, K. V.; Zvagelsky, R.; Villanueva-Perez, P.; Wegener, M.; Lyubomirskiy, M.
2024. Advanced Science, 11 (30), Art.-Nr.: 2310075. doi:10.1002/advs.202310075
L-edge X-ray spectroscopy of rhodium and palladium compounds
Suarez Orduz, H. A.; Bugarin, L.; Heck, S.-L.; Dolcet, P.; Casapu, M.; Grunwaldt, J.-D.; Glatzel, P.
2024. Journal of Synchrotron Radiation, 31 (4). doi:10.1107/S1600577524004673
One‐pot cascade reaction from epoxide to carboxylic acids using bifunctional Fe‐ZSM‐5
Treu, P.; Gonçalves, D.; Lakshmi Nilayam, A. R.; Grunwaldt, J.-D.; Saraçi, E.
2024. ChemCatChem, 16 (20), Art.-Nr.: 202400626. doi:10.1002/cctc.202400626
Elucidating the Role of the State of Pd in the H-SCR of NO by Operando XANES and DRIFTS
Eldridge, T. J.; Borchers, M.; Lott, P.; Grunwaldt, J.-D.; Doronkin, D. E.
2024. Catalysis Science & Technology. doi:10.1039/D4CY00574K
Elemental Distribution in Catalyst‐Coated Membranes of Proton Exchange Membrane Water Electrolysers Tracked by Synchrotron X‐Ray Fluorescence
Rex, A.; Almeida De Campos, L.; Gottschalk, T.; Ferreira Sanchez, D.; Trinke, P.; Czioska, S.; Saraçi, E.; Bensmann, B.; Grunwaldt, J.-D.; Hanke-Rauschenbach, R.; Sheppard, T. L.
2024. Advanced Energy and Sustainability Research, 5 (9), Art.-Nr.: 2400048. doi:10.1002/aesr.202400048
Highly Active Oxidation Catalysts through Confining Pd Clusters on CeO2 Nano‐Islands
Grunwaldt, J.-D.; Gashnikova, D.; Maurer, F.; Sauter, E.; Bernart, S.; Jelic, J.; Dolcet, P.; Maliakkal, C. B.; Wang, Y.; Wöll, C.; Studt, F.; Kübel, C.; Casapu, M.
2024. Angewandte Chemie International Edition, Art. e202408511. doi:10.1002/anie.202408511
A laboratory scale fast characterizing feedback loop for optimizing technical emission control catalysts
Delrieux, T.; Sharma, S.; Maurer, F.; Dolcet, P.; Lausch, M.; Zimina, A.; Cárdenas, C.; Lott, P.; Casapu, M.; Sheppard, T. L.; Grunwaldt, J.-D.
2024. Reaction Chemistry & Engineering, 9 (11), 2868–2881. doi:10.1039/D4RE00168K
Operando Spectroscopy to Understand Dynamic Structural Changes of Solid Catalysts
Sarma, B. B.; Grunwaldt, J.-D.
2024. CHIMIA, 78 (5), 288–296. doi:10.2533/chimia.2024.288
Structural Changes of Ni and Ni–Pt Methane Steam Reforming Catalysts During Activation, Reaction, and Deactivation Under Dynamic Reaction Conditions
Tusini, E.; Casapu, M.; Zimina, A.; Doronkin, D. E.; Störmer, H.; Barthe, L.; Belin, S.; Grunwaldt, J.-D.
2024. ACS Catalysis, 7463–7477. doi:10.1021/acscatal.3c05847
Spectroscopic and theoretical investigation of Brønsted acid sites in amorphous mixed Zr-Si oxide nanoparticles
Scotti, N.; Borsacchi, S.; Monti, S.; Zimina, A.; Evangelisti, C.; Geppi, M.; Dambruoso, P.; Barcaro, G.; Bossola, F.; Dal Santo, V.; Ravasio, N.
2024. Journal of Alloys and Compounds, 992, Article no: 174545. doi:10.1016/j.jallcom.2024.174545
In situ imaging of precipitate formation in additively manufactured al-alloys by scanning X-ray fluorescence
Lazar, I.; Mehta, B.; Bertschová, V.; Malladi, S. B. A.; Ren, Z.; Das, S.; Hagemann, J.; Falkenberg, G.; Frisk, K.; Mikkelsen, A.; Nyborg, L.
2024. European Journal of Materials, 4 (1). doi:10.1080/26889277.2024.2328242
A Critical View on the Quantification of Model Catalyst Activity
Reich, J.; Kaiser, S.; Heiz, U.; Grunwaldt, J.-D.; Kappes, M. M.; Esch, F.; Lechner, B. A. J.
2024. Topics in Catalysis, 67 (13-14), 880–891. doi:10.1007/s11244-024-01920-0
Quantitative Chemical Mapping of Pt/Rh Gauze Catalysts for Ammonia Oxidation using Resonant X-ray Tomography
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L.
2024. The Journal of Physical Chemistry C, 128 (12), 5053–5063. doi:10.1021/acs.jpcc.4c00041
Unlocking the Mysteries of Technical Catalyst Deactivation: A View from Space
Sharma, S.; Maurer, F.; Lott, P.; Sheppard, T. L.
2024. ChemCatChem, 16 (14), Art.-Nr.: e202301655. doi:10.1002/cctc.202301655
Unveiling the synergistic effects of pH and Sn content for tuning the catalytic performance of Ni^0/Ni_{x}Sn_{y} intermetallic compounds dispersed on Ce-Zr mixed oxides in the aqueous phase reforming of ethylene glycol
Rosmini, C.; Pazos Urrea, M.; Tusini, E.; Indris, S.; Kovacheva, D.; Karashanova, D.; Kolev, H.; Zimina, A.; Grunwaldt, J.-D.; Rønning, M.; Dimitrov, M.; Popova, M.
2024. Applied catalysis / B, 350, Art.Nr.: 123904. doi:10.1016/j.apcatb.2024.123904
Aqueous Phase Reforming over Platinum Catalysts on Doped Carbon Supports: Exploring Platinum–Heteroatom Interactions
Pazos Urrea, M.; Meilinger, S.; Herold, F.; Gopakumar, J.; Tusini, E.; De Giacinto, A.; Zimina, A.; Grunwaldt, J.-D.; Chen, D.; Rønning, M.
2024. ACS Catalysis, 14 (6), 4139–4154. doi:10.1021/acscatal.3c05385
Rational process design for the efficient oxidation of crude HMF-solution using AuPd/C catalysts
Neukum, D.; Saraçi, E.; Wüst, D.; Raj Lakshmi Nilayam, A.; Sharma, S.; Grunwaldt, J.-D.
2024. Catalysis Today, 432, Article no: 114615. doi:10.1016/j.cattod.2024.114615
The enhancing effect of Co on propane non-oxidative dehydrogenation over supported Co/ZrO catalysts
Zhang, Q.; Li, Y.; Otroshchenko, T.; Kondratenko, V. A.; Wu, K.; Fedorova, E. A.; Doronkin, D. E.; Bartling, S.; Lund, H.; Jiang, G.; Kondratenko, E. V.
2024. Journal of Catalysis, 432, Art.-Nr.: 115440. doi:10.1016/j.jcat.2024.115440
Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports
Huang, J.; Klahn, M.; Tian, X.; Bartling, S.; Zimina, A.; Radtke, M.; Rockstroh, N.; Naliwajko, P.; Steinfeldt, N.; Peppel, T.; Grunwaldt, J.-D.; Logsdail, A. J.; Jiao, H.; Strunk, J.
2024. Angewandte Chemie International Edition, Art.Nr.: e202400174. doi:10.1002/anie.202400174
Using CoCuGa/SiO to identify stability-issues in ethanol-selective Co-Cu alloyed catalysts in carbon monoxide hydrogenation
Smitshuysen, T. E. L.; Lützen, M.; Zimina, A.; Sheppard, T. L.; Jakobsen, H. H.; Chorkendorff, I.; Damsgaard, C. D.
2024. Applied Catalysis A: General, 675, 119636. doi:10.1016/j.apcata.2024.119636
Continuous flow oxidation of HMF using supported AuPd-alloy
Neukum, D.; Lakshmi Nilayam, A. R.; Ludwig, M. E.; Vadarlis, A. A.; Grunwaldt, J.-D.; Saraçi, E.
2024. Catalysis Science & Technology, 14 (8), 2130–2138. doi:10.1039/D3CY01722B
Surface ZnO on zirconia is highly active for high temperature methanol synthesis
Nikolajsen, M. T.; Grivel, J.-C.; Gaur, A.; Hansen, L. P.; Baumgarten, L.; Schjødt, N. C.; Mentzel, U. V.; Grunwaldt, J.-D.; Sehested, J.; Christensen, J. M.; Høj, M.
2024. Journal of Catalysis, 431, Art.-Nr.: 115389. doi:10.1016/j.jcat.2024.115389
Reversible and Irreversible Structural Changes in Cu/ZnO/ZrO₂ Catalysts during Methanol Synthesis
Warmuth, L.; Steurer, M.; Schild, D.; Zimina, A.; Grunwaldt, J.-D.; Pitter, S.
2024. ACS Applied Materials & Interfaces, 16 (7), 8813–8821. doi:10.1021/acsami.3c17383
Pushing the Efficiency of the Selective and Base‐free Air‐Oxidation of HMF by Varying the Properties of Carbon‐based Supports
Neukum, D.; Saraci, E.; Krause, B.; Nilayam, A. R. L.; Sinigalia, A.; Grunwaldt, J.-D.
2024. ChemCatChem, 16 (10). doi:10.1002/cctc.202301228
Comparison of Structure and Reactivity of Hydrothermally Prepared Bi‐Mo‐Co‐Fe‐O Catalysts in Selective Propylene and Isobutene Oxidation
Klag, L.; Baumgarten, L.; Gaur, A.; Sheppard, T. L.; Grunwaldt, J.-D.
2024. ChemCatChem, Art.-Nr.: e202301470. doi:10.1002/cctc.202301470
Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia
Chen, S.; Jelic, J.; Rein, D.; Najafishirtari, S.; Schmidt, F.-P.; Girgsdies, F.; Kang, L.; Wandzilak, A.; Rabe, A.; Doronkin, D. E.; Wang, J.; Friedel Ortega, K.; DeBeer, S.; Grunwaldt, J.-D.; Schlögl, R.; Lunkenbein, T.; Studt, F.; Behrens, M.
2024. Nature Communications, 15 (1), Art.-Nr.: 871. doi:10.1038/s41467-023-44661-6
Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene
Strauch, D.; Weiner, P.; Sarma, B. B.; Körner, A.; Herzinger, E.; Wolf, P.; Zimina, A.; Hutzler, A.; Doronkin, D. E.; Grunwaldt, J.-D.; Wasserscheid, P.; Wolf, M.
2024. Catalysis Science & Technology, 14 (7), 1775–1790. doi:10.1039/D3CY01336G
Exploring structure, temperature and activity correlations in the selective oxidation of lower olefins over Bi-Mo-Co-Fe-O catalysts by spatial reactor profile measurements
Klag, L.; Weber, S.; Horn, R.; Sheppard, T. L.; Grunwaldt, J.-D.
2024. Catalysis Science & Technology, 14 (4), 863–877. doi:10.1039/D3CY01445B
Versatile spectroscopic cell for operando studies in heterogeneous catalysis using tender X‐ray spectroscopy in fluorescence mode
Suarez Orduz, H. A.; Heck, S.-L.; Dolcet, P.; Watier, Y.; Casapu, M.; Grunwaldt, J.-D.; Glatzel, P.
2024. Chemistry–Methods. doi:10.1002/cmtd.202300044
Surface States Governing the Activity and Selectivity of Pt-Based Ammonia Slip Catalysts for Selective Ammonia Oxidation
Marchuk, V.; Sharapa, D. I.; Grunwaldt, J.-D.; Doronkin, D. E.
2024. ACS Catalysis, 14 (2), 1107–1120. doi:10.1021/acscatal.3c05019
Chemical bonding effects in Sc compounds studied using X-ray absorption and X-ray photoelectron spectroscopies
Zimina, A.; Léon, A.; Steininger, R.
2024. Physical Chemistry Chemical Physics, 26 (3), 2613–2621. doi:10.1039/D3CP04108E
Unlocking a Dual‐Channel Pathway in CO Hydrogenation to Methanol over Single‐Site Zirconium on Amorphous Silica
Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Zada, H.; Wang, L.; Sun, J.
2024. Angewandte Chemie - International Edition, 63 (4), Art.Nr.: e202312292. doi:10.1002/anie.202312292
TiO₂‐CeOₓ‐Pt Hollow Nanosphere Catalyst for Low‐Temperature CO Oxidation
Liebertseder, M.; Maliakkal, C. B.; Crone, M.; Nails, G.; Casapu, M.; Grunwaldt, J.-D.; Türk, M.; Kübel, C.; Feldmann, C.
2024. ChemCatChem, 16 (2), e202301358. doi:10.1002/cctc.202301358
Effect of supports on the kind of in-situ formed ZnOₓ species and its consequence for non-oxidative propane dehydrogenation
Zhao, D.; Kondratenko, V. A.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Kondratenko, E. V.
2024. Catalysis Today, 428, 114444. doi:10.1016/j.cattod.2023.114444
A review on exhaust gas after-treatment of lean-burn natural gas engines – From fundamentals to application
Lott, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O.
2024. Applied Catalysis B: Environmental, 340, Art.Nr.: 123241. doi:10.1016/j.apcatb.2023.123241
Investigating local coordination and electronic nature of Cu centers in the copper complexes having aspartic and glutamic acids
Hinge, V. K.; Bairagi, M.; Yadav, N.; Joshi, S. K.; Shrivastava, B. D.; Jha, S. N.; Bhattacharya, D.; Gaur, A.
2024. X-Ray Spectrometry, 53 (1), 60–68. doi:10.1002/xrs.3369

Publications 2023


DAta from PHoton and Neutron Experiments – DAPHNE4NFDI – Annual Meeting 2023
Dolcet, P.; Grunwaldt, J.-D.; Hövelmann, S.; Amelung, L.; Schneidewind, A.
2023. Synchrotron Radiation News, 36 (6), 55–57. doi:10.1080/08940886.2023.2277655
Role of Iron and Cobalt in 4-Component Bi–Mo–Co–Fe–O Catalysts for Selective Isobutene Oxidation Using Complementary Operando Techniques
Klag, L.; Gaur, A.; Stehle, M.; Weber, S.; Sheppard, T. L.; Grunwaldt, J.-D.
2023. ACS Catalysis, 13, 14241–14256. doi:10.1021/acscatal.3c03433
Methyl radical chemistry in non-oxidative methane activation over metal single sites
Huang, X.; Eggart, D.; Qin, G.; Sarma, B. B.; Gaur, A.; Yang, J.; Pan, Y.; Li, M.; Hao, J.; Yu, H.; Zimina, A.; Guo, X.; Xiao, J.; Grunwaldt, J.-D.; Pan, X.; Bao, X.
2023. Nature Communications, 14, Article no: 5716. doi:10.1038/s41467-023-41192-y
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Bernart, S.; Studt, F.; Grunwaldt, J.-D.
2023. The Journal of Physical Chemistry C, 127 (23), Art.-Nr.: 11419. doi:10.1021/acs.jpcc.3c03075
Solventless hydrodeoxygenation of isoeugenol and dihydroeugenol in the batch and continuous modes over zeolite-supported FeNi catalyst
Vajglova, Z.; Yevdokimova, O.; Medina, A.; Eränen, K.; Tirri, T.; Hemming, J.; Linden, J.; Angervo, I.; Damlin, P.; Doronkin, D. E.; Mäki-Arvela, P.; Murzin, D.
2023. Sustainable Energy & Fuels, 7, 4486–4504. doi:10.1039/D3SE00371J
Core–shell catalyst pellets for effective reaction heat management
Zimmermann, R. T.; Weber, S.; Bremer, J.; Idakiev, V.; Pashminehazar, R.; Sheppard, T. L.; Mörl, L.; Sundmacher, K.
2023. Chemical Engineering Journal, 457, Art.-Nr.: 140921. doi:10.1016/j.cej.2022.140921
Interactions between Iron and Nickel in Fe–Ni Nanoparticles on Y Zeolite for Co-Processing of Fossil Feedstock with Lignin-Derived Isoeugenol
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Kumar, N.; Eränen, K.; Wärnå, J.; Lassfolk, R.; Simakova, I. L.; Prosvirin, I. P.; Peurla, M.; Lindén, J. K. M.; Huhtinen, H.; Paturi, P.; Doronkin, D. E.; Murzin, D. Y.
2023. ACS Applied Nano Materials, 6 (12), 10064–10077. doi:10.1021/acsanm.3c00620
Spatially-resolved investigation of CO2 methanation over Ni/γ-Al2O3 and Ni3.2Fe/γ-Al2O3 catalysts in a packed-bed reactor
Bhimrao Shirsath, A.; Schulte, M. L.; Kreitz, B.; Tischer, S.; Grunwaldt, J.-D.; Deutschmann, O.
2023. Chemical Engineering Journal, Art.-Nr.: 143847. doi:10.1016/j.cej.2023.143847
XAFS study of mixed ligand benzimidazole copper complexes having distorted coordination geometry
Hinge, V. K.; Bairagi, M.; Yadav, N.; Shrivastava, B. D.; Jha, S. N.; Bhattacharya, D.; Gaur, A.
2023. Journal of Molecular Structure, 1289, 135909. doi:10.1016/j.molstruc.2023.135909
Methane Oxidation over PdO: Towards a Better Understanding of the Influence of the Support Material
Keller, K.; Lott, P.; Tischer, S.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O.
2023. ChemCatChem, 15 (11), Art.-Nr.: e202300366. doi:10.1002/cctc.202300366
Catalytic reactor for operando spatially resolved structure–activity profiling using high-energy X-ray diffraction
Wollak, B.; Espinoza, D.; Dippel, A.-C.; Sturm, M.; Vrljic, F.; Gutowski, O.; Nielsen, I. G.; Sheppard, T. L.; Korup, O.; Horn, R.
2023. Journal of Synchrotron Radiation, 30 (Pt 3), 571–581. doi:10.1107/S1600577523001613
Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models
Salcedo, A.; Zengel, D.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Michel, C.; Loffreda, D.
2023. Small, 19 (34). doi:10.1002/smll.202300945
Co-processing of fossil feedstock with lignin-derived model compound isoeugenol over Fe-Ni/H-Y-5.1 catalysts
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Simakova, I. L.; Kumar, N.; Eränen, K.; Tirri, T.; Lassfolk, R.; Peurla, M.; Doronkin, D. E.; Murzin, D. Y.
2023. Journal of Catalysis, 421, 101–116. doi:10.1016/j.jcat.2023.03.016
Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts
Marchuk, V.; Huang, X.; Grunwaldt, J.-D.; Doronkin, D. E.
2023. Catalysis Science & Technology. doi:10.1039/D2CY02095E
Soot Formation in Methane Pyrolysis Reactor: Modeling Soot Growth and Particle Characterization
Shirsath, A. B.; Mokashi, M.; Lott, P.; Müller, H.; Pashminehazar, R.; Sheppard, T.; Tischer, S.; Maier, L.; Grunwaldt, J.-D.; Deutschmann, O.
2023. The Journal of Physical Chemistry A, 127 (9), 2136–2147. doi:10.1021/acs.jpca.2c06878
Effect of Diffusion Constraints and ZnOx Speciation on Nonoxidative Dehydrogenation of Propane and Isobutane over ZnO-Containing Catalysts
Zhao, D.; Gao, M.; Tian, X.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Ye, M.; Jiang, G.; Jiao, H.; Kondratenko, E. V.
2023. ACS Catalysis, 13, 3356–3369. doi:10.1021/acscatal.2c05704
Nanoparticle Exsolution from Nanoporous Perovskites for Highly Active and Stable Catalysts
Rudolph, B.; Tsiotsias, A. I.; Ehrhardt, B.; Dolcet, P.; Gross, S.; Haas, S.; Charisou, N. D.; Goula, M. A.; Mascotto, S.
2023. Advanced Science, 10 (6), Art.-Nr.: 2205890. doi:10.1002/advs.202205890
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Studt, F.; Grunwaldt, J.-D.
2023. The Journal of Physical Chemistry C, 127 (6), 3032–3046. doi:10.1021/acs.jpcc.2c07263
PdCl(NO) – an iconic compound with corrugated PdCl octagons built up by PdCl(NO) moieties
Evers, J.; Klapötke, T. M.; Beck, W.; Völkl, M. B. R.; Oehlinger, G.; Köppe, R.; Zimina, A.; Wolf, S.
2023. Zeitschrift für anorganische und allgemeine Chemie, 649 (6-7). doi:10.1002/zaac.202200337
An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts
Klag, L.; Sheppard, T. L.; Grunwaldt, J.-D.
2023. ChemCatChem, 15 (3), Art.-Nr.: e202201276. doi:10.1002/cctc.202201276
Fluorine Aided Stabilization of Pt Single Atoms on TiO Nanosheets and Strongly Enhanced Photocatalytic H Evolution
Wu, S.-M.; Hwang, I.; Osuagwu, B.; Will, J.; Wu, Z.; Sarma, B. B.; Pu, F.-F.; Wang, L.-Y.; Badura, Z.; Zoppellaro, G.; Spiecker, E.; Schmuki, P.
2023. ACS Catalysis, 13, 33–41. doi:10.1021/acscatal.2c04481
Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools
Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D.
2023. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495
Single-atom dispersed Zn-N3 active sites bridging the interlayer of g-C3N4 to tune NO oxidation pathway for the inhibition of toxic by-product generation
Zhang, R.; Cao, Y.; Doronkin, D. E.; Ma, M.; Dong, F.; Zhou, Y.
2023. Chemical Engineering Journal, 454 (Part 1), Art.-Nr.: 140084. doi:10.1016/j.cej.2022.140084

Publications 2022


  1. New Dimensions in Catalysis Research with Hard X‐Ray Tomography
    Das, S.; Pashminehazar, R.; Sharma, S.; Weber, S.; Sheppard, T. L.
    2022. Chemie Ingenieur Technik, 94 (11), 1591–1610. doi:10.1002/cite.202200082 Full textFull text of the publication as PDF document
  2. Oxidative cleavage of vicinal diols catalyzed by monomeric Fe‐sites inside MFI zeolite
    Treu, P.; Sarma, B. B.; Grunwaldt, J.-D.; Saraçi, E.
    2022. ChemCatChem, 14 (21), e202200993. doi:10.1002/cctc.202200993 Full textFull text of the publication as PDF document
  3. Heating up the OER: Investigation of IrO₂ OER Catalysts as Function of Potential and Temperature
    Czioska, S.; Ehelebe, K.; Geppert, J.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Mayerhöfer, B.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D.
    2022. ChemElectroChem, 9 (19), e202200514. doi:10.1002/celc.202200514 Full textFull text of the publication as PDF document
  4. Investigations of mechanism, surface species and support effects in CO hydrogenation over Rh
    Schumann, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M.
    2022. Journal of Catalysis, 414, 90–100. doi:10.1016/j.jcat.2022.08.031 Full textFull text of the publication as PDF document
  5. Pt Single Atoms on TiO 2 Polymorphs—Minimum Loading with a Maximized Photocatalytic Efficiency
    Qin, S.; Denisov, N.; Sarma, B. B.; Hwang, I.; Doronkin, D. E.; Tomanec, O.; Kment, S.; Schmuki, P.
    2022. Advanced Materials Interfaces, 9 (22), Art.-Nr.: 2200808. doi:10.1002/admi.202200808 Full textFull text of the publication as PDF document
  6. Microkinetic Analysis of the Oxygen Evolution Performance at Different Stages of Iridium Oxide Degradation
    Geppert, J.; Röse, P.; Czioska, S.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Cherevko, S.; Grunwaldt, J.-D.; Krewer, U.
    2022. Journal of the American Chemical Society, 144 (29), 13205–13217. doi:10.1021/jacs.2c03561 Full textFull text of the publication as PDF document
  7. Understanding the multiple interactions in vanadium-based SCR catalysts during simultaneous NO and soot abatement
    Zheng, L.; Casapu, M.; Grunwaldt, J.-D.
    2022. Catalysis Science & Technology, 12 (12), 3969–3981. doi:10.1039/d2cy00432a Full textFull text of the publication as PDF document
  8. Probing the electronic nature of Co centers forming the planar ring in octa-nuclear Co complexes using X-ray absorption spectroscopy
    Sarmah, N.; Sharma, D.; Mehta, B. K.; Shrivastava, B. D.; Das, B. K.; Zimina, A.; Gaur, A.
    2022. Journal of Molecular Structure, 1263, Art.-Nr.: 133125. doi:10.1016/j.molstruc.2022.133125 Full textFull text of the publication as PDF document
  9. Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts
    Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.
    2022. Journal of catalysis, 408, 339–355. doi:10.1016/j.jcat.2021.08.053 Full textFull text of the publication as PDF document
  10. Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling
    Wollak, B.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Alizadefanaloo, S.; Rosowski, F.; Schroer, C.; Grunwaldt, J.-D.; Horn, R.
    2022. Journal of catalysis, 408, 372–387. doi:10.1016/j.jcat.2021.08.029 Full textFull text of the publication as PDF document
  11. Probing the Nature of Zinc in Copper‐Zinc‐Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol
    Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Pandit, L.; Grunwaldt, J.-D.; Zhang, L.; Xu, H.; Sun, J.
    2022. Angewandte Chemie International Edition, 62 (7), Art.Nr. e202216803. doi:10.1002/anie.202216803 Full textFull text of the publication as PDF document
  12. Direct Observation of Reactant, Intermediate, and Product Species for Nitrogen Oxide-Selective Catalytic Reduction on Cu-SSZ-13 Using In Situ Soft X-ray Spectroscopy
    Seitz, L. C.; Doronkin, D. E.; Hauschild, D.; Casapu, M.; Zengel, D.; Zimina, A.; Kreikemeyer-Lorenzo, D.; Blum, M.; Yang, W.; Grunwaldt, J.-D.; Heske, C.; Weinhardt, L.
    2022. The Journal of Physical Chemistry C, 126 (49), 20998–21009. doi:10.1021/acs.jpcc.2c04736 Full textFull text of the publication as PDF document
  13. Lewis acid Sn-Beta catalysts for the cycloaddition of isoprene and methyl acrylate: a greener route to bio-derived monomers
    Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E.
    2022. Catalysis Science & Technology, 12 (24), 7439–7447. doi:10.1039/D2CY01337A Full textFull text of the publication as PDF document
  14. In Situ Investigations on Structural Evolutions during the Facile Synthesis of Cubic α-MoC Catalysts
    Sun, X.; Yu, J.; Cao, S.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Xu, H.; Li, S.; Liu, Y.; Sun, J.
    2022. Journal of the American Chemical Society, 144 (49), 22589–22598. doi:10.1021/jacs.2c08979 Full textFull text of the publication as PDF document
  15. Light‐induced agglomeration of single‐atom platinum in photocatalysis
    Denisov, N.; Qin, S.; Will, J.; Vasiljevic, B. N.; Skorodumova, N. V.; Pašti, I. A.; Sarma, B. B.; Osuagwu, B.; Yokosawa, T.; Voss, J.; Wirth, J.; Spiecker, E.; Schmuki, P.
    2022. Advanced Materials, 35 (5), Art.-Nr.: 2206569. doi:10.1002/adma.202206569 Full textFull text of the publication as PDF document
  16. Operando QEXAFS Study of Pt–Fe Ammonia Slip Catalysts During Realistic Driving Cycles
    Marchuk, V.; Huang, X.; Murzin, V.; Grunwaldt, J.-D.; Doronkin, D. E.
    2022. Topics in Catalysis, 66 (13-14), 825–838. doi:10.1007/s11244-022-01718-y Full textFull text of the publication as PDF document
  17. Dynamics of the Reversible Inhibition during Methane Oxidation on Bimetallic Pd‐Pt Catalysts Studied by Modulation‐Excitation XAS and DRIFTS
    Boubnov, A.; Gremminger, A.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D.
    2022. ChemCatChem, 14 (22), e202200573. doi:10.1002/cctc.202200573 Full textFull text of the publication as PDF document
  18. Catalytic Profile Reactor for Multimodal Operando Measurements during Periodic Operation
    Espinoza, D. A.; Wollak, B.; Sheppard, T.; Dippel, A.-C.; Sturm, M.; Gutowski, O.; Schmidt, M.; Korup, O.; Horn, R.
    2022. ChemCatChem, 14 (24), Art.: e202200337. doi:10.1002/cctc.202200337 Full textFull text of the publication as PDF document
  19. Synchrotron PXRD deconvolutes nickel particle and support changes in Ni/ZrO methanation catalysts
    Schulte, M.; Weber, S.; Klag, L.; Grunwaldt, J.-D.; Sheppard, T. L.
    2022. Catalysis Science & Technology, 12 (20), 6069–6083. doi:10.1039/D2CY00972B Full textFull text of the publication as PDF document
  20. Thermally stable mesoporous tetragonal zirconia through surfactant-controlled synthesis and Si-stabilization
    Abel, K. L.; Weber, S.; Poppitz, D.; Titus, J.; Sheppard, T. L.; Gläser, R.
    2022. RSC Advances, 12 (26), 16875–16885. doi:10.1039/d2ra01459a Full textFull text of the publication as PDF document
  21. Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study
    Wang, J.; Sauter, E.; Nefedov, A.; Heißler, S.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wang, Y.; Wöll, C.
    2022. The Journal of Physical Chemistry C, 126 (21), 9051–9058. doi:10.1021/acs.jpcc.2c02420 Full textFull text of the publication as PDF document
  22. Challenges of green FDCA production from bio‐derived HMF: Overcoming deactivation by concomitant amino acids
    Neukum, D.; Baumgarten, L.; Wüst, D.; Sarma, B. B.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D.
    2022. ChemSusChem, 15 (13), e202200418. doi:10.1002/cssc.202200418 Full textFull text of the publication as PDF document
  23. Controlling Reaction-Induced Loss of Active Sites in ZnOₓ/Silicalite-1 for Durable Nonoxidative Propane Dehydrogenation
    Zhao, D.; Guo, K.; Han, S.; Doronkin, D. E.; Lund, H.; Li, J.; Grunwaldt, J.-D.; Zhao, Z.; Xu, C.; Jiang, G.; Kondratenko, E. V.
    2022. ACS Catalysis, 12 (8), 4608–4617. doi:10.1021/acscatal.1c05778 Full textFull text of the publication as PDF document
  24. Operando XAS Study of Pt-Doped CeO2 for the Nonoxidative Conversion of Methane
    Eggart, D.; Huang, X.; Zimina, A.; Yang, J.; Pan, Y.; Pan, X.; Grunwaldt, J.-D.
    2022. ACS Catalysis, 12, 3897–3908. doi:10.1021/acscatal.2c00092 Full textFull text of the publication as PDF document
  25. Identifying Performance Descriptors in CO2 Hydrogenation over Iron‐based Catalysts Promoted with Alkali Metals
    Yang, Q.; Kondratenko, V. A.; Petrov, S. A.; Doronkin, D. E.; Saraçi, E.; Lund, H.; Arinchtein, A.; Kraehnert, R.; Skrypnik, A. S.; Matvienko, A. A.; Kondratenko, E. V.
    2022. Angewandte Chemie International Edition, 61 (22), Art.Nr. e202116517. doi:10.1002/anie.202116517 Full textFull text of the publication as PDF document
  26. Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
    Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L.
    2022. ChemCatChem, 14 (8), e202101878. doi:10.1002/cctc.202101878 Full textFull text of the publication as PDF document
  27. Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation
    Maurer, F.; Beck, A.; Jelic, J.; Wang, W.; Mangold, S.; Stehle, M.; Wang, D.; Dolcet, P.; Gänzler, A. M.; Kübel, C.; Studt, F.; Casapu, M.; Grunwaldt, J.-D.
    2022. ACS catalysis, 12, 2473–2486. doi:10.1021/acscatal.1c04565 Full textFull text of the publication as PDF document
  28. Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X‐Ray Ptychography
    Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Gläser, R.; Sheppard, T. L.
    2022. Advanced science, 9 (8), 2105432. doi:10.1002/advs.202105432 Full textFull text of the publication as PDF document
  29. Using Transient XAS to Detect Minute Levels of Reversible S-O Exchange at the Active Sites of MoS2-Based Hydrotreating Catalysts: Effect of Metal Loading, Promotion, Temperature, and Oxygenate Reactant
    Gaur, A.; Stehle, M.; Serrer, M.-A.; Stummann, M. Z.; La Fontaine, C.; Briois, V.; Grunwaldt, J.-D.; Høj, M.
    2022. ACS catalysis, 12 (1), 633–647. doi:10.1021/acscatal.1c04767 Full textFull text of the publication as PDF document
  30. Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor
    Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E.
    2022. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499A Full textFull text of the publication as PDF document
  31. Versatile in situ/operando Setup for Studying Catalysts by X-Ray Absorption Spectroscopy under Demanding and Dynamic Reaction Conditions for Energy Storage and Conversion
    Pandit, L.; Serrer, M.-A.; Saraҫi E.; Boubnov, A.; Grunwaldt, J.-D.
    2022. Chemistry methods, 2 (1), e202100078. doi:10.1002/cmtd.202100078
  32. Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol
    Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y.
    2022. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695 Full textFull text of the publication as PDF document

Publications 2021


  1. Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts
    Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.
    2022. Journal of catalysis, 408, 339–355. doi:10.1016/j.jcat.2021.08.053 Full textFull text of the publication as PDF document
  2. Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling
    Wollak, B.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Alizadefanaloo, S.; Rosowski, F.; Schroer, C.; Grunwaldt, J.-D.; Horn, R.
    2022. Journal of catalysis, 408, 372–387. doi:10.1016/j.jcat.2021.08.029 Full textFull text of the publication as PDF document
  3. Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor
    Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E.
    2022. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499A Full textFull text of the publication as PDF document
  4. Versatile in situ/operando Setup for Studying Catalysts by X-Ray Absorption Spectroscopy under Demanding and Dynamic Reaction Conditions for Energy Storage and Conversion
    Pandit, L.; Serrer, M.-A.; Saraҫi E.; Boubnov, A.; Grunwaldt, J.-D.
    2022. Chemistry methods, 2 (1), e202100078. doi:10.1002/cmtd.202100078
  5. Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol
    Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y.
    2022. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695 Full textFull text of the publication as PDF document
  6. Cobalt-based Nanoreactors in Combined Fischer-Tropsch Synthesis and Hydroprocessing: Effects on Methane and CO Selectivity
    Straß-Eifert, A.; Sheppard, T. L.; Becker, H.; Friedland, J.; Zimina, A.; Grunwaldt, J.-D.; Güttel, R.
    2021. ChemCatChem, 13 (24), 5216–5227. doi:10.1002/cctc.202101053 Full textFull text of the publication as PDF document
  7. Continuous-flow reactor setup for X-ray absorption spectroscopy of high pressure heterogeneous liquid–solid catalytic processes
    Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Rabsch, G.; Grunwaldt, J.-D.; Dittmeyer, R.
    2021. Review of scientific instruments, 92 (12), Article no: 124101. doi:10.1063/5.0057011 Full textFull text of the publication as PDF document
  8. Modulating electron density of vacancy site by single Au atom for effective CO photoreduction
    Cao, Y.; Guo, L.; Dan, M.; Doronkin, D. E.; Han, C.; Rao, Z.; Liu, Y.; Meng, J.; Huang, Z.; Zheng, K.; Chen, P.; Dong, F.; Zhou, Y.
    2021. Nature Communications, 12 (1), Art.-Nr.: 1675. doi:10.1038/s41467-021-21925-7 Full textFull text of the publication as PDF document
  9. Investigating cubane formation and effect of co-crystallization agents in oxo-bridged Co complexes using X-ray absorption spectroscopy
    Gaur, A.; Sharma, D.; Nitin Nair, N.; Mehta, B. K.; Shrivastava, B. D.; Gogoi, M.; Sarmah, N.; Das, B. K.
    2021. Journal of molecular structure, 1244, Art.-Nr.: 130869. doi:10.1016/j.molstruc.2021.130869 Full textFull text of the publication as PDF document
  10. In situ formation of ZnOₓ species for efficient propane dehydrogenation
    Zhao, D.; Tian, X.; Doronkin, D. E.; Han, S.; Kondratenko, V. A.; Grunwaldt, J.-D.; Perechodjuk, A.; Vuong, T. H.; Rabeah, J.; Eckelt, R.; Rodemerck, U.; Linke, D.; Jiang, G.; Jiao, H.; Kondratenko, E. V.
    2021. Nature <London>, 599, 234–238. doi:10.1038/s41586-021-03923-3 Full textFull text of the publication as PDF document
  11. Design of bimetallic Au/Cu nanoparticles in ionic liquids: Synthesis and catalytic properties in 5‐(hydroxymethyl)furfural oxidation
    Uzunidis, G.; Schade, O.; Schild, D.; Grunwaldt, J.-D.; Behrens, S.
    2021. ChemNanoMat, 7 (10), 1108–1116. doi:10.1002/cnma.202100258 Full textFull text of the publication as PDF document
  12. Hard X‐ray Nanotomography for 3D Analysis of Coking in Nickel‐based Catalysts
    Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L.
    2021. Angewandte Chemie / International edition, 60 (40), 21772–21777. doi:10.1002/anie.202106380 Full textFull text of the publication as PDF document
  13. Harte Röntgen‐Nanotomographie zur 3D‐Analyse der Verkokung in Nickel‐basierten Katalysatoren
    Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L.
    2021. Angewandte Chemie, 133 (40), 21940–21945. doi:10.1002/ange.202106380 Full textFull text of the publication as PDF document
  14. Tracking dynamic structural changes in catalysis by rapid 2D-XANES microscopy
    Alizadehfanaloo, S.; Garrevoet, J.; Seyrich, M.; Murzin, V.; Becher, J.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G.; Schropp, A.
    2021. Journal of synchrotron radiation, 28 (5). doi:10.1107/S1600577521007074 Full textFull text of the publication as PDF document
  15. Present Challenges in Catalytic Emission Control for Internal Combustion Engines
    Doronkin, D. E.; Casapu, M.
    2021. Catalysts, 11 (9), Art.-Nr. 1019. doi:10.3390/catal11091019 Full textFull text of the publication as PDF document
  16. Increased Ir–Ir Interaction in Iridium Oxide during the Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy
    Czioska, S.; Boubnov, A.; Escalera-López, D.; Geppert, J.; Zagalskaya, A.; Röse, P.; Saraçi, E.; Alexandrov, V.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D.
    2021. ACS catalysis, 11 (15), 10043–10057. doi:10.1021/acscatal.1c02074 Full textFull text of the publication as PDF document
  17. Impact of gas phase reactions and catalyst poisons on the NH₃-SCR activity of a V₂O₅-WO₃/TiO₂ catalyst at pre-turbine position
    Zengel, D.; Stehle, M.; Deutschmann, O.; Casapu, M.; Grunwaldt, J.-D.
    2021. Applied catalysis / B, 288, Article no: 119991. doi:10.1016/j.apcatb.2021.119991 Full textFull text of the publication as PDF document
  18. HCl-doping of V/TiO₂-based catalysts reveals the promotion of NH₃-SCR and the rate limiting role of NO oxidative activation
    Lanza, A.; Zheng, L.; Matarrese, R.; Lietti, L.; Grunwaldt, J.-D.; Clave, S. A.; Collier, J.; Beretta, A.
    2021. The chemical engineering journal, 416, Art.Nr.: 128933. doi:10.1016/j.cej.2021.128933 Full textFull text of the publication as PDF document
  19. Insights into the Structural Dynamics of Pt/CeO Single-Site Catalysts during CO Oxidation
    Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.
    2021. Catalysts, 11 (5), Art.-Nr. 617. doi:10.3390/catal11050617 Full textFull text of the publication as PDF document
  20. Sample Environment for Operando Hard X-ray Tomography—An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis
    Becher, J.; Weber, S.; Ferreira Sanchez, D.; Doronkin, D. E.; Garrevoet, J.; Falkenberg, G.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L.
    2021. Catalysts, 11 (4), Art.-Nr.: 459. doi:10.3390/catal11040459 Full textFull text of the publication as PDF document
  21. Effect of Selectivity Enhancers on the Structure of Palladium during High-Pressure Continuous-Flow Direct Synthesis of Hydrogen Peroxide in Ethanol
    Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Grunwaldt, J.-D.; Dittmeyer, R.
    2021. The journal of physical chemistry <Washington, DC> / C, 125 (6), 3451–3462. doi:10.1021/acs.jpcc.0c11246 Full textFull text of the publication as PDF document
  22. The Impact of Pressure and Hydrocarbons on NOx Abatement over Cu- and Fe-Zeolites at Pre-Turbocharger Position
    Zengel, D.; Barth, S.; Casapu, M.; Grunwaldt, J.-D.
    2021. Catalysts, 11 (3), 336. doi:10.3390/catal11030336 Full textFull text of the publication as PDF document
  23. Chemical imaging of mixed metal oxide catalysts for propylene oxidation: from model binary systems to complex multicomponent systems
    Sprenger, P.; Stehle, M.; Gaur, A.; Weiß, J.; Brueckner, D.; Zhang, Y.; Garrevoet, J.; Suuronen, J.-P.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.; Sheppard, T. L.
    2021. ChemCatChem, 13 (10), 2483–2493. doi:10.1002/cctc.202100054 Full textFull text of the publication as PDF document
  24. Versatile and high temperature spectroscopic cell for operando fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts
    Eggart, D.; Zimina, A.; Cavusoglu, G.; Casapu, M.; Doronkin, D. E.; Lomachenko, K. A.; Grunwaldt, J.-D.
    2021. Review of scientific instruments, 92 (2), Art.-Nr. 023106. doi:10.1063/5.0038428 Full textFull text of the publication as PDF document
  25. NaCl-template-based synthesis of TiO₂-Pd/Pt hollow nanospheres for H₂O₂ direct synthesis and CO oxidation
    Liebertseder, M.; Wang, D.; Cavusoglu, G.; Casapu, M.; Wang, S.; Behrens, S.; Kübel, C.; Grunwaldt, J.-D.; Feldmann, C.
    2021. Nanoscale, 13 (3), 2005–2011. doi:10.1039/d0nr08871d Full textFull text of the publication as PDF document
  26. Catalytic co oxidation and HO direct synthesis over pd and pt-impregnated titania nanotubes
    Warmuth, L.; Nails, G.; Casapu, M.; Wang, S.; Behrens, S.; Grunwaldt, J.-D.; Feldmann, C.
    2021. Catalysts, 11 (8), 949. doi:10.3390/catal11080949 Full textFull text of the publication as PDF document
  27. Liquid‐Phase Synthesis of Highly Reactive Rare‐Earth Metal Nanoparticles
    Bartenbach, D.; Wenzel, O.; Popescu, R.; Faden, L.-P.; Reiß, A.; Kaiser, M.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C.
    2021. Angewandte Chemie / International edition, 60 (32), 17373–17377. doi:10.1002/anie.202104955 Full textFull text of the publication as PDF document
  28. Phase- and Surface Composition-Dependent Electrochemical Stability of Ir-Ru Nanoparticles during Oxygen Evolution Reaction
    Escalera-López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraçi, E.; Krewer, U.; Grunwaldt, J.-D.; Cherevko, S.
    2021. ACS catalysis, 11 (15), 9300–9316. doi:10.1021/acscatal.1c01682 Full textFull text of the publication as PDF document
  29. Unravelling the Zn‐Cu Interaction during Activation of a Zn‐promoted Cu/MgO Model Methanol Catalyst
    Pandit, L.; Boubnov, A.; Behrendt, G.; Mockenhaupt, B.; Chowdhury, C.; Jelic, J.; Hansen, A.-L.; Saraci, E.; Ras, E.-J.; Behrens, M.; Studt, F.; Grunwaldt, J.-D.
    2021. ChemCatChem, 13 (19), 4120–4132. doi:10.1002/cctc.202100692 Full textFull text of the publication as PDF document
  30. Spatial activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein
    Stehle, M.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Besser, H.; Pfleging, W.; Grunwaldt, J.-D.
    2021. Catalysis science & technology, 11, 5781–5790. doi:10.1039/D1CY00553G Full textFull text of the publication as PDF document
  31. Rationalizing an Unexpected Structure Sensitivity in Heterogeneous Catalysis - CO Hydrogenation over Rh as a Case Study
    Schumann, M.; Nielsen, M. R.; Smitshuysen, T. E. L.; Hansen, T. W.; Damsgaard, C. D.; Yang, A.-C. A.; Cargnello, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M.
    2021. ACS Catalysis, 11 (9), 5189–5201. doi:10.1021/acscatal.0c05002
  32. Spatially‐resolved insights into local activity and structure of Ni‐based CO₂ methanation catalysts in fixed‐bed reactors
    Serrer, M.-A.; Stehle, M.; Schulte, M. L.; Besser, H.; Pfleging, W.; Saraci, E.; Grunwaldt, J.-D.
    2021. ChemCatChem, 13 (13), 3010–3020. doi:10.1002/cctc.202100490 Full textFull text of the publication as PDF document
  33. Spatiotemporal Investigation of the Temperature and Structure of a Pt/CeO₂ Oxidation Catalyst for CO and Hydrocarbon Oxidation during Pulse Activation
    Maurer, F.; Gänzler, A.; Lott, P.; Betz, B.; Votsmeier, M.; Loridant, S.; Vernoux, P.; Murzin, V.; Bornmann, B.; Frahm, R.; Deutschmann, O.; Casapu, M.; Grunwaldt, J.-D.
    2021. Industrial & engineering chemistry research, 60 (18), 6662–6675. doi:10.1021/acs.iecr.0c05798 Full textFull text of the publication as PDF document
  34. Liquid-phase Synthesis of Highly Oxophilic Zerovalent Niobium and Tantalum Nanoparticles
    Egeberg, A.; Faden, L.-P.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C.
    2021. Chemical communications, 57, 3648–3651. doi:10.1039/D1CC00681A Full textFull text of the publication as PDF document
  35. CO2 Reduction over Mo2C-Based Catalysts
    Marquart, W.; Raseale, S.; Prieto, G.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Claeys, M.; Fischer, N.
    2021. ACS catalysis, 11, 1624–1639. doi:10.1021/acscatal.0c05019

Publications 2020


  1. Applications of Hard X-ray Spectroscopy in Energy-Related and Environmental Catalysis
    Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.
    2020. Synchrotron radiation news, 33 (5), 11–17. doi:10.1080/08940886.2020.1812353 Full textFull text of the publication as PDF document
  2. Microfluidic Crystallization of Surfactant-Free Doped Zinc Sulfide Nanoparticles for Optical Bioimaging Applications
    Tajoli, F.; Dengo, N.; Mognato, M.; Dolcet, P.; Lucchini, G.; Faresin, A.; Grunwaldt, J.-D.; Huang, X.; Badocco, D.; Maggini, M.; Kübel, C.; Speghini, A.; Carofiglio, T.; Gross, S.
    2020. ACS applied materials & interfaces, 12 (39), 44074–44087. doi:10.1021/acsami.0c13150 Full textFull text of the publication as PDF document
  3. Porosity and Structure of Hierarchically Porous Ni/Al₂O₃ Catalysts for CO₂ Methanation
    Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L.
    2020. Catalysts, 10 (12), Art. Nr.: 1471. doi:10.3390/catal10121471 Full textFull text of the publication as PDF document
  4. Stabilizing Cu in Cu/SiO Catalysts with a Shattuckite-Like Structure Boosts CO2 Hydrogenation into Methanol
    Yu, J.; Yang, M.; Zhang, J.; Ge, Q.; Zimina, A.; Pruessmann, T.; Zheng, L.; Grunwaldt, J.-D.; Sun, J.
    2020. ACS catalysis, 10 (24), 14694–14706. doi:10.1021/acscatal.0c04371 Full textFull text of the publication as PDF document
  5. Operando X-ray Absorption Spectroscopy Study during Conditioning of Pt-Based Catalysts and Its Implications for CO Oxidation
    Gänzler, A. M.; Betz, B.; Baier-Stegmaier, S.; Belin, S.; Briois, V.; Votsmeier, M.; Casapu, M.
    2020. The journal of physical chemistry <Washington, DC> / C, 124 (37), 20090–20100. doi:10.1021/acs.jpcc.0c04740
  6. XAFS study of tridentate Schiff base Ni(II) complexes having distorted octahedral geometry
    Gaur, A.; Joshi, S. K.; Nair, N. N.; Shrivastava, B. D.; Patel, R. N.; Jha, S. N.; Bhattacharyya, D.
    2020. Radiation physics and chemistry, 175. doi:10.1016/j.radphyschem.2018.11.020
  7. Structural dynamics in Ni–Fe catalysts during CO₂ methanation - role of iron oxide clusters
    Serrer, M.-A.; Gaur, A.; Jelic, J.; Weber, S.; Fritsch, C.; Clark, A. H.; Saraçi, E.; Studt, F.; Grunwaldt, J.-D.
    2020. Catalysis science & technology, 10 (22), 7542–7554. doi:10.1039/D0CY01396J Full textFull text of the publication as PDF document
  8. Selective aerobic oxidation of 5‐(hydroxymethyl)furfural over heterogeneous silver‐gold nanoparticle catalysts
    Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Saraci, E.; Barcikowski, S.; Grunwaldt, J.-D.
    2020. Advanced synthesis & catalysis, 362 (24), 5681–5696. doi:10.1002/adsc.202001003 Full textFull text of the publication as PDF document
  9. Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2
    Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D.
    2020. Nature catalysis, 3, 824–833. doi:10.1038/s41929-020-00508-7 Full textFull text of the publication as PDF document
  10. Hydrocarbon and soot oxidation over cerium and iron doped vanadium SCR catalysts
    Casapu, M.; Zheng, L.; Zimina, A.; Grunwaldt, J.-D.
    2020. ChemCatChem, 12 (24), 6272–6284. doi:10.1002/cctc.202001314 Full textFull text of the publication as PDF document
  11. TiO-supported catalysts with ZnO and ZrO for non-oxidative dehydrogenation of propane: mechanistic analysis and application potentia
    Han, S.; Zhao, D.; Lund, H.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Gao, M.; Jiang, G.; Kondratenko, E. V.
    2020. Catalysis science & technology, 10 (20), 7046–7055. doi:10.1039/D0CY01416H
  12. Exploiting the dynamic properties of Pt on ceria for low-temperature CO oxidation
    Ferré, G.; Aouine, M.; Bosselet, F.; Burel, L.; Cadete Santos Aires, F. J.; Geantet, C.; Ntais, S.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Epicier, T.; Loridant, S.; Vernoux, P.
    2020. Catalysis science & technology, 10 (12), 3904–3917. doi:10.1039/d0cy00732c
  13. Emission of Toxic HCN During NOx Removal by Ammonia SCR in the Exhaust of Lean-Burn Natural Gas Engines
    Zengel, D.; Koch, P.; Torkashvand, B.; Grunwaldt, J.-D.; Casapu, M.; Deutschmann, O.
    2020. Angewandte Chemie / International edition, 59 (34), 14423–14428. doi:10.1002/anie.202003670 Full textFull text of the publication as PDF document
  14. PtyNAMi: ptychographic nano-analytical microscope
    Schropp, A.; Döhrmann, R.; Botta, S.; Brückner, D.; Kahnt, M.; Lyubomirskiy, M.; Ossig, C.; Scholz, M.; Seyrich, M.; Stuckelberger, M. E.; Wiljes, P.; Wittwer, F.; Garrevoet, J.; Falkenberg, G.; Fam, Y.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G.
    2020. Journal of applied crystallography, 53 (4), 957–971. doi:10.1107/S1600576720008420 Full textFull text of the publication as PDF document
  15. Elucidating the Nature of Active Sites and Fundamentals for their Creation in Zn-Containing ZrO2-Based Catalysts for Non-Oxidative Propane Dehydrogenation
    Han, S.; Zhao, D.; Otroshchenko, T.; Lund, H.; Bentrup, U.; Kondratenko, V. A.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Gao, M.; Jiang, G.; Kondratenko, E. V.
    2020. ACS catalysis, 10 (15), 8933–8949. doi:10.1021/acscatal.0c01580 Full textFull text of the publication as PDF document
  16. Influence of Titania Synthesized by Pulsed Laser Ablation on the State of Platinum during Ammonia Oxidation
    Stadnichenko, A.; Svintsitskiy, D.; Kibis, L.; Fedorova, E.; Stonkus, O.; Slavinskaya, E.; Lapin, I.; Fakhrutdinova, E.; Svetlichnyi, V.; Romanenko, A.; Doronkin, D.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A.
    2020. Applied Sciences, 10 (14), Art. Nr.: 4699. doi:10.3390/app10144699 Full textFull text of the publication as PDF document
  17. Towards an intensified process of biomass-derived monomers: The influence of HMF by-products on gold-catalyzed synthesis of 2,5-furandicarboxylic acid
    Naim, W.; Schade, O. R.; Saraci, E.; Wüst, D.; Kruse, A.; Grunwaldt, J.-D.
    2020. ACS sustainable chemistry & engineering, 8 (31), 11512–11521. doi:10.1021/acssuschemeng.0c01319 Full textFull text of the publication as PDF document
  18. High stability of Rh oxide-based thermoresistive catalytic combustion sensors proven by operando XAS and XRD
    Müller, S.; Zimina, A.; Steininger, R.; Flessau, S.; Osswald, J.; Grunwaldt, J.-D.
    2020. ACS sensors, 5 (8), 2486–2496. doi:10.1021/acssensors.0c00712 Full textFull text of the publication as PDF document
  19. Mechanistic Insights into the Selective Oxidation of 5-(Hydroxymethyl)furfural over Silver-based Catalysts
    Schade, O. R.; Gaur, A.; Zimina, A.; Saraci, E.; Grunwaldt, J.-D.
    2020. Catalysis science & technology, 10 (15), 5036–5047. doi:10.1039/D0CY00878H Full textFull text of the publication as PDF document
  20. Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct HO synthesis
    Doronkin, D. E.; Wang, S.; Sharapa, D.; Deschner, B. J.; Sheppard, T. L.; Zimina, A.; Studt, F.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D.
    2020. Catalysis science & technology, 10 (14), 4726–4742. doi:10.1039/D0CY00553C Full textFull text of the publication as PDF document
  21. Understanding Sulfur Poisoning of Bimetallic Pd-Pt Methane Oxidation Catalysts and their Regeneration
    Lott, P.; Eck, M.; Doronkin, D. E.; Zimina, A.; Tischer, S.; Popescu, R.; Belin, S.; Briois, V.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O.
    2020. Applied catalysis / B, 278, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244 Full textFull text of the publication as PDF document
  22. Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD
    Gaur, A.; Stehle, M.; Raun, K. V.; Thrane, J.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M.
    2020. Physical chemistry, chemical physics, 22 (20), 11713–11723. doi:10.1039/D0CP01506G Full textFull text of the publication as PDF document
  23. Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts
    Frei, E.; Gaur, A.; Lichtenberg, H.; Zwiener, L.; Scherzer, M.; Girgsdies, F.; Lunkenbein, T.; Schlögl, R.
    2020. ChemCatChem, 12 (16), 4029–4033. doi:10.1002/cctc.202000777
  24. Freisetzung von toxischem HCN bei der Stickoxidreduktion mittels NH₃‐SCR in mager betriebenen Erdgasmotoren
    Zengel, D.; Koch, P.; Torkashvand, B.; Grunwaldt, J.-D.; Casapu, M.; Deutschmann, O.
    2020. Angewandte Chemie, 132 (34), 14530–14535. doi:10.1002/ange.202003670 Full textFull text of the publication as PDF document
  25. Reduction and carburization of iron oxides for Fischer-Tropsch synthesis
    Nielsen, M. R.; Moss, A. B.; Bjørnlund, A. S.; Liu, X.; Knop-Gericke, A.; Klyushin, A. Y.; Grunwaldt, J.-D.; Sheppard, T. L.; Doronkin, D. E.; Zimina, A.; Smitshuysen, T. E. L.; Damsgaard, C. D.; Wagner, J. B.; Hansen, T. W.
    2020. Journal of Energy Chemistry, 51, 48–61. doi:10.1016/j.jechem.2020.03.026
  26. Bridging the gap between industry and synchrotron: Operando study at 30 bar over 300 h during Fischer-Tropsch synthesis
    Loewert, M.; Serrer, M.-A.; Carambia, T.; Stehle, M.; Zimina, A.; Kalz, K.; Lichtenberg, H.; Saraci, E.; Pfeifer, P.; Grunwaldt, J.-D.
    2020. Reaction chemistry & engineering, 5 (6), 1071–1082. doi:10.1039/C9RE00493A Full textFull text of the publication as PDF document
  27. Palladium-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of Hydrogen Peroxide
    Wang, S.; Doronkin, D. E.; Hähsler, M.; Huang, X.; Wang, D.; Grunwaldt, J.-D.; Behrens, S.
    2020. ChemSusChem, 13 (12), 3243–3251. doi:10.1002/cssc.202000407 Full textFull text of the publication as PDF document
  28. The Influence of the Gold Particle Size on the Catalytic Oxidation of 5-(Hydroxymethyl)furfural
    Schade, O.; Dolcet, P.; Nefedov, A.; Huang, X.; Saraçi, E.; Wöll, C.; Grunwaldt, J.-D.
    2020. Catalysts, 10 (3), Article: 342. doi:10.3390/catal10030342 Full textFull text of the publication as PDF document
  29. Optimizing Ni-Fe-Ga alloys into NiFeGa for the hydrogenation of CO into methanol
    Smitshuysen, T. E. L.; Nielsen, M. R.; Pruessmann, T.; Zimina, A.; Sheppard, T. L.; Grunwaldt, J.-D.; Chorkendorff, I.; Damsgaard, C. D.
    2020. ChemCatChem, 12 (12), 3265–3273. doi:10.1002/cctc.202000174 Full textFull text of the publication as PDF document
  30. The direct synthesis of hydrogen peroxide from H₂ and O₂ using Pd–Ga and Pd–In catalysts
    Wang, S.; Lewis, R. J.; Doronkin, D. E.; Morgan, D. J.; Grunwaldt, J.-D.; Hutchings, G. J.; Behrens, S.
    2020. Catalysis science & technology, 10 (6), 1925–1932. doi:10.1039/C9CY02210D Full textFull text of the publication as PDF document
  31. Tomographic reconstruction with a generative adversarial network
    Yang, X.; Kahnt, M.; Brückner, D.; Schropp, A.; Fam, Y.; Becher, J.; Grunwaldt, J.-D.; Sheppard, T. L.; Schroer, C. G.
    2020. Journal of synchrotron radiation, 27 (2), 486–493. doi:10.1107/S1600577520000831 Full textFull text of the publication as PDF document
  32. PGM based catalysts for exhaust-gas after-treatment under typical diesel, gasoline and gas engine conditions with focus on methane and formaldehyde oxidation
    Gremminger, A.; Pihl, J.; Casapu, M.; Grunwaldt, J.-D.; Toops, T. J.; Deutschmann, O.
    2020. Applied catalysis / B, 265, Article No.118571. doi:10.1016/j.apcatb.2019.118571
  33. Visible light-enhanced photothermal CO2 hydrogenation over Pt/Al2O3 catalyst
    Zhao, Z.; Doronkin, D. E.; Ye, Y.; Grunwaldt, J.-D.; Huang, Z.; Zhou, Y.
    2020. Chinese journal of catalysis, 41 (2), 286–293. doi:10.1016/S1872-2067(19)63445-5 Full textFull text of the publication as PDF document
  34. From agriculture residue to upgraded product: The thermochemical conversion of sugarcane bagasse for fuel and chemical products
    Schmitt, C. C.; Moreira, R.; Neves, R. C.; Richter, D.; Funke, A.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N.
    2020. Fuel processing technology, 197, Article: 106199. doi:10.1016/j.fuproc.2019.106199 Full textFull text of the publication as PDF document

Publications 2019


  1. Direct Catalytic Route to Biomass-Derived 2,5-Furandicarboxylic Acid and Its Use as Monomer in a Multicomponent Polymerization
    Schade, O. R.; Dannecker, P.-K.; Kalz, K. F.; Steinbach, D.; Meier, M. A. R.; Grunwaldt, J.-D.
    2019. ACS omega, 4 (16), 16972–16979. doi:10.1021/acsomega.9bo2373 Full textFull text of the publication as PDF document
  2. Unravelling the Different Reaction Pathways for Low Temperature CO Oxidation on Pt/CeO2 and Pt/Al2O3 by Spatially Resolved Structure–Activity Correlations
    Gänzler, A. M.; Casapu, M.; Doronkin, D. E.; Maurer, F.; Lott, P.; Glatzel, P.; Votsmeier, M.; Deutschmann, O.; Grunwaldt, J.-D.
    2019. The journal of physical chemistry letters, 10 (24), 7698–7705. doi:10.1021/acs.jpclett.9b02768 Full textFull text of the publication as PDF document
  3. Insight into the Nature of Active Species of Pt/Al2O3 Catalysts for low Temperature NH3 Oxidation
    Svintsitskiy, D. A.; Kibis, L. S.; Stadnichenko, A. I.; Slavinskaya, E. M.; Romanenko, A. V.; Fedorova, E. A.; Stonkus, O. A.; Doronkin, D. E.; Marchuk, V.; Zimina, A.; Casapu, M.; Grunwaldt, J.-D.; Boronin, A. I.
    2019. ChemCatChem, cctc.201901719. doi:10.1002/cctc.201901719 Full textFull text of the publication as PDF document
  4. Enhanced Methane Conversion to Olefins and Aromatics by H-Donor Molecules under Nonoxidative Condition
    Hao, J.; Schwach, P.; Fang, G.; Guo, X.; Zhang, H.; Shen, H.; Huang, X.; Eggart, D.; Pan, X.; Bao, X.
    2019. ACS catalysis, 9 (10), 9045–9050. doi:10.1021/acscatal.9b01771 Full textFull text of the publication as PDF document
  5. Stability of Iron-Molybdate Catalysts for Selective Oxidation of Methanol to Formaldehyde: Influence of Preparation Method
    Raun, K. V.; Lundegaard, L. F.; Beato, P.; Appel, C. C.; Nielsen, K.; Thorhauge, M.; Schumann, M.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M.
    2019. Catalysis letters, 150, 1434–1444. doi:10.1007/s10562-019-03034-9
  6. Oxidation State and Dielectric Properties of Ceria-Based Catalysts by Complementary Microwave Cavity Perturbation and X-Ray Absorption Spectroscopy Measurements
    Steiner, C.; Gänzler, A. M.; Zehentbauer, M.; Hagen, G.; Casapu, M.; Müller, S.; Grunwaldt, J.-D.; Moos, R.
    2019. Topics in catalysis, 62 (1-4), 227–236. doi:10.1007/s11244-018-1110-3
  7. Selective Catalytic Reduction of NOx with Ammonia and Hydrocarbon Oxidation Over V2O5–MoO3/TiO2 and V2O5–WO3/TiO2 SCR Catalysts
    Zheng, L.; Casapu, M.; Stehle, M.; Deutschmann, O.; Grunwaldt, J.-D.
    2019. Topics in catalysis, 62 (1-4), 129–139. doi:10.1007/s11244-018-1097-9 Full textFull text of the publication as PDF document
  8. Activating a Cu/ZnO : Al Catalyst – Much More than Reduction: Decomposition, Self‐Doping and Polymorphism
    Frei, E.; Gaur, A.; Lichtenberg, H.; Heine, C.; Friedrich, M.; Greiner, M.; Lunkenbein, T.; Grunwaldt, J.-D.; Schlögl, R.
    2019. ChemCatChem, 11 (6), 1587–1592. doi:10.1002/cctc.201900069 Full textFull text of the publication as PDF document
  9. Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO‐Rich Synthesis Gas
    Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S.
    2019. Angewandte Chemie, 131 (44), 15802–15806. doi:10.1002/ange.201906256 Full textFull text of the publication as PDF document
  10. Synthesis and Characterisation of Hierarchically Structured Titanium Silicalite-1 Zeolites with Large Intracrystalline Macropores
    Weissenberger, T.; Leonhardt, R.; Zubiri, B. A.; Pitínová-Štekrová, M.; Sheppard, T. L.; Reiprich, B.; Bauer, J.; Dotzel, R.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D.; Casci, J. L.; Čejka, J.; Spiecker, E.; Schwieger, W.
    2019. Chemistry - a European journal, 25 (63), 14430–14440. doi:10.1002/chem.201903287
  11. Impact of Preparation Method and Hydrothermal Aging on Particle Size Distribution of Pt/γ-AlO and Its Performance in CO and NO Oxidation
    Ogel, E.; Casapu, M.; Doronkin, D. E.; Popescu, R.; Störmer, H.; Mechler, C.; Marzun, G.; Barcikowski, S.; Türk, M.; Grunwaldt, J.-D.
    2019. The journal of physical chemistry <Washington, DC> / C, 123 (9), 5433–5446. doi:10.1021/acs.jpcc.8b11065 Full textFull text of the publication as PDF document
  12. Coupled ptychography and tomography algorithm improves reconstruction of experimental data
    Kahnt, M.; Becher, J.; Brückner, D.; Fam, Y.; Sheppard, T.; Weissenberger, T.; Wittwer, F.; Grunwaldt, J.-D.; Schwieger, W.; Schroer, C. G.
    2019. Optica, 6 (10), 1282–1289. doi:10.1364/OPTICA.6.001282
  13. Mapping the Pore Architecture of Structured Catalyst Monoliths from Nanometer to Centimeter Scale with Electron and X-ray Tomographies
    Becher, J.; Sheppard, T. L.; Fam, Y.; Baier, S.; Wang, W.; Wang, D.; Kulkarni, S.; Keller, T. F.; Lyubomirskiy, M.; Brueckner, D.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D.
    2019. The journal of physical chemistry <Washington, DC> / C, 123 (41), 25197–25208. doi:10.1021/acs.jpcc.9b06541 Full textFull text of the publication as PDF document
  14. A versatile nanoreactor for complementary in situ X-ray and electron microscopy studies in catalysis and materials science
    Fam, Y.; Sheppard, T. L.; Becher, J.; Scherhaufer, D.; Lambach, H.; Kulkarni, S.; Keller, T. F.; Wittstock, A.; Wittwer, F.; Seyrich, M.; Brueckner, D.; Kahnt, M.; Yang, X.; Schropp, A.; Stierle, A.; Schroer, C. G.; Grunwaldt, J.-D.
    2019. Journal of synchrotron radiation, 26 (5), 1769–1781. doi:10.1107/S160057751900660X Full textFull text of the publication as PDF document
  15. Role of Iron on the Structure and Stability of Ni3.2Fe/Al2O3 during Dynamic CO2 Methanation for P2X Applications
    Serrer, M.-A.; Kalz, K. F.; Saraҫi E.; Lichtenberg, H.; Grunwaldt, J.-D.
    2019. ChemCatChem, 11 (20), 5018–5021. doi:10.1002/cctc.201901425 Full textFull text of the publication as PDF document
  16. Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO-Rich Synthesis Gas
    Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S.
    2019. Angewandte Chemie / International edition, 58 (44), 15655–15659. doi:10.1002/anie.201906256 Full textFull text of the publication as PDF document
  17. Direct Catalytic Route to Biomass-Derived 2,5-Furandicarboxylic Acid and Its Use as Monomer in a Multicomponent Polymerization
    Schade, O. R.; Dannecker, P.-K.; Kalz, K. F.; Steinbach, D.; Meier, M. A. R.; Grunwaldt, J.-D.
    2019. ACS omega, 4 (16), 16972–16979. doi:10.1021/acsomega.9b02373 Full textFull text of the publication as PDF document
  18. Evaluation of High-Loaded Ni-Based Catalysts for Upgrading Fast Pyrolysis Bio-Oil
    Carriel Schmitt, C.; Zimina, A.; Fam, Y.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N.
    2019. Catalysts, 9 (9), Article: 784. doi:10.3390/catal9090784 Full textFull text of the publication as PDF document
  19. Operando XAS/XRD and Raman Spectroscopic Study of Structural Changes of the Iron Molybdate Catalyst during Selective Oxidation of Methanol
    Gaur, A.; Schumann, M.; Raun, K. V.; Stehle, M.; Beato, P.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M.
    2019. ChemCatChem, 11 (19), 4871–4883. doi:10.1002/cctc.201901025 Full textFull text of the publication as PDF document
  20. Continuous production of higher alcohols from synthesis gas and ethanol using Cs-modified CuO/ZnO/AlO catalysts
    Walter, K. M.; Serrer, M.-A.; Kleist, W.; Grunwaldt, J.-D.
    2019. Applied catalysis / A, 585, Art.-Nr.: 117150. doi:10.1016/j.apcata.2019.117150
  21. Hydrodeoxygenation (HDO) of aliphatic oxygenates and phenol over NiMo/MgAlO: Reactivity, inhibition, and catalyst reactivation
    Dabros, T. M. H.; Andersen, M. L.; Lindahl, S. B.; Hansen, T. W.; Høj, M.; Gabrielsen, J.; Grunwaldt, J.-D.; Jensen, A. D.
    2019. Catalysts, 9 (6), Art.-Nr.: 521. doi:10.3390/catal9060521 Full textFull text of the publication as PDF document
  22. NH-SCR over V-W/TiO Investigated by Operando X-ray Absorption and Emission Spectroscopy
    Doronkin, D. E.; Benzi, F.; Zheng, L.; Sharapa, D. I.; Amidani, L.; Studt, F.; Roesky, P. W.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D.
    2019. The journal of physical chemistry <Washington, DC> / C, 123 (23), 14338–14349. doi:10.1021/acs.jpcc.9b00804 Full textFull text of the publication as PDF document
  23. Evolution of intermetallic GaPd/SiO catalyst and optimization for methanol synthesis at ambient pressure
    Fiordaliso, E. M.; Sharafutdinov, I.; Carvalho, H. W. P.; Kehres, J.; Grunwaldt, J.-D.; Chorkendorff, I.; Damsgaard, C. D.
    2019. Science and technology of advanced materials, 20 (1), 521–531. doi:10.1080/14686996.2019.1603886 Full textFull text of the publication as PDF document
  24. Chemical Nature of Microfluidically Synthesized AuPd Nanoalloys Supported on TiO₂
    Tofighi, G.; Yu, X.; Lichtenberg, H.; Doronkin, D. E.; Wang, W.; Wöll, C.; Wang, Y.; Grunwaldt, J.-D.
    2019. ACS catalysis, 9 (6), 5462–5473. doi:10.1021/acscatal.9b00161 Full textFull text of the publication as PDF document
  25. The Effect of Prereduction on the Performance of Pd/Al₂O₃ and Pd/CeO₂ Catalysts during Methane Oxidation
    Lott, P.; Dolcet, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O.
    2019. Industrial & engineering chemistry research, 58 (28), 12561–12570. doi:10.1021/acs.iecr.9b01267
  26. The dynamic nature of Cu sites in Cu-SSZ-13 and the origin of the seagull NOx conversion profile during NH₃-SCR
    Fahami, A. R.; Günter, T.; Doronkin, D. E.; Casapu, M.; Zengel, D.; Vuong, T. H.; Simon, M.; Breher, F.; Kucherov, A. V.; Brückner, A.; Grunwaldt, J.-D.
    2019. Reaction chemistry & engineering, 4 (6), 1000–1018. doi:10.1039/c8re00290h Full textFull text of the publication as PDF document
  27. The Influence of Active Phase Loading on the Hydrodeoxygenation (HDO) of Ethylene Glycol over Promoted MoS/MgAlO Catalysts
    Dabros, T. M. H.; Kramer, H.; Høj, M.; Sprenger, P.; Grunwaldt, J.-D.; Gabrielsen, J.; Jensen, A. D.
    2019. Topics in catalysis, 62, 752–763. doi:10.1007/s11244-019-01169-y Full textFull text of the publication as PDF document
  28. Microfluidically synthesized Au, Pd and AuPd nanoparticles supported on SnO 2 for gas sensing applications
    Tofighi, G.; Degler, D.; Junker, B.; Müller, S.; Lichtenberg, H.; Wang, W.; Weimar, U.; Barsan, N.; Grunwaldt, J.-D.
    2019. Sensors and actuators <Lausanne> / B, 292, 48–56. doi:10.1016/j.snb.2019.02.107 Full textFull text of the publication as PDF document
  29. Highly dispersed PdS preferably anchored on In₂S₃ of MnS/In₂S₃ composite for effective and stable hydrogen production from H₂S
    Li, Y.; Yu, S.; Doronkin, D. E.; Wei, S.; Dan, M.; Wu, F.; Ye, L.; Grunwaldt, J.-D.; Zhou, Y.
    2019. Journal of catalysis, 373, 48–57. doi:10.1016/j.jcat.2019.03.021 Full textFull text of the publication as PDF document
  30. Atomically dispersed Mo atoms on amorphous g-C N promotes visible-light absorption and charge carriers transfer
    Zhang, R.; Li, P.; Wang, F.; Ye, L.; Gaur, A.; Huang, Z.; Zhao, Z.; Bai, Y.; Zhou, Y.
    2019. Applied catalysis / B, 250, 273–279. doi:10.1016/j.apcatb.2019.03.025
  31. Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling
    Sharapa, D. I.; Doronkin, D. E.; Studt, F.; Grunwaldt, J.-D.; Behrens, S.
    2019. Advanced materials, 31 (26), Art.Nr. 1807381. doi:10.1002/adma.201807381 Full textFull text of the publication as PDF document
  32. Probing the Active Sites of MoS 2 Based Hydrotreating Catalysts Using Modulation Excitation Spectroscopy
    Gaur, A.; Hartmann Dabros, T. M.; Høj, M.; Boubnov, A.; Prüssmann, T.; Jelic, J.; Studt, F.; Jensen, A. D.; Grunwaldt, J.-D.
    2019. ACS catalysis, 9 (3), 2568–2579. doi:10.1021/acscatal.8b04778 Full textFull text of the publication as PDF document
  33. Homogeneous oxidation of light alkanes in the exhaust of turbocharged lean-burn gas engines
    Torkashvand, B.; Lott, P.; Zengel, D.; Maier, L.; Hettel, M.; Grunwaldt, J.-D.; Deutschmann, O.
    2019. The chemical engineering journal, 377, Article No.119800. doi:10.1016/j.cej.2018.08.186
  34. On the challenges and constrains of ultra-low emission limits: Formaldehyde oxidation in catalytic sinusoidal-shaped channels
    Torkashvand, B.; Maier, L.; Hettel, M.; Schedlbauer, T.; Grunwaldt, J.-D.; Deutschmann, O.
    2019. Chemical engineering science, 195, 841–850. doi:10.1016/j.ces.2018.10.031
  35. Sunlight induced photo-thermal synergistic catalytic CO2 conversion via localized surface plasmon resonance of MoO3-x
    Li, J.; Ye, Y.; Ye, L.; Su, F.; Ma, Z.; Huang, J.; Xie, H.; Doronkin, D. E.; Zimina, A.; Grunwaldt, J.-D.; Zhou, Y.
    2019. Journal of materials chemistry / A, 7 (6), 2821–2830. doi:10.1039/c8ta10922b Full textFull text of the publication as PDF document
  36. Surface reaction kinetics of methane oxidation over PdO
    Stotz, H.; Maier, L.; Boubnov, A.; Gremminger, A.; Grunwaldt, J.-D.; Deutschmann, O.
    2019. Journal of catalysis, 370, 152–175. doi:10.1016/j.jcat.2018.12.007
  37. Controlling the structure and magnetic properties of cluster-assembled metallic glasses
    Benel, C.; Fischer, A.; Zimina, A.; Steininger, R.; Kruk, R.; Hahn, H.; Léon, A.
    2019. Materials Horizons, 6 (4), 727–732. doi:10.1039/C8MH01013G Full textFull text of the publication as PDF document
  38. Novel MnS/(InCu)S composite for robust solar hydrogen sulphide splitting via the synergy of solid solution and heterojunction
    Dan, M.; Wei, S.; Doronkin, D. E.; Li, Y.; Zhao, Z.; Yu, S.; Grunwaldt, J.-D.; Lin, Y.; Zhou, Y.
    2019. Applied catalysis / B, 243, 790–800. doi:10.1016/j.apcatb.2018.11.016 Full textFull text of the publication as PDF document

Publications 2018

1. S. A. Müller, D. Degler, C. Feldmann, M. Türk, R. Moos, K. Fink, F. Studt, D. Gerthsen, N. Bârsan, J.-D. Grunwaldt, "Exploiting synergies in catalysis and gas sensing using noble metal-loaded oxide composites", ChemCatChem 10, 5, 864-880 (2018)

2. T. M. Hartmann Dabros, A. Gaur, D. Garcia Pintos, P. Sprenger, M. Høj, T. W. Hansen, F. Studt, J. Gabrielsen, J.-D. Grunwaldt, "Influence of H2O and H2S on the Composition, Activity, and Stability of Sulfided Mo, CoMo, and NiMo Supported on MgAl2O4 for Hydrodeoxygenation of Ethylene Glycol” Applied Catalysis A: General 551, Pages 106-121 (2018)

3. J.-D. Grunwaldt, H. Lichtenberg, J. Rothe,  “Inauguration Workshop of the CAT-ACT Beamline for Catalysis and Radionuclide Research at ANKA”,Synchrotron Radiation News, Vol. 31, No. 1 (2018)

4. B. Mutz, P. Sprenger, W. Wang, D. Wang, W. Kleist, J.-D. Grunwaldt, "Operando Raman Spectroscopy on CO2 Mathanation over Alumin-Supported NI, Ni3Fe and NIRh0 1 Catalysts: Role of Carbon Formation as Possible Deactivation Pathway”, Appl. Catal. A 556, 160-171 (2018)

5. G. Tofighi, A. Gaur, D. E. Doronkin, H. Lichtenberg, W. Wang, D. Wang, G. Rinke, A. Ewinger, R. Dittmeyer, J.-D. Grunwaldt,  “Microfluidic Synthesis of Ultrasmall AuPd Nanoparticles with a Homogeneously Mixed Alloy Structure in Fast Continuous Flow for Catalytic Applications”, ACS Publcations. J.Phys. Chem. C, 122 (3), pp 1721–1731 (2018)

6. D. Degler, S. A. Müller, D. E. Doronkin, D. Wang, J.-D. Grunwaldt, U. Weimar, N. Barsan, "Platinum Loaded Tin Dioxide: A Model System for Unravelling the Interplay between Heterogeneous Catalysis and Gas Sensing”, J. Mater. Chem. A, 6, 2034-2046, DOI:10.1039/C7TA08781K. (2018)

7. M. Selinsek, B. J. Deschner, D. E. Doronkin, T. L. Sheppard, J.-D. Grunwaldt, R. Dittmeyer "Revealing the Structure and Mechanism of Palladium during Direct Synthesis of Hydrogen Peroxide in Continuous Flow Using Operando Spectroscopy", ACS Catal., 8, 2546–2557 (2018)

8. M. Gentzen; D. Doronkin; T. L Sheppard; J.-D. Grunwaldt; J. Sauer; S. Behrens, "Bifunctional catalysts based on colloidal Cu/Zn nanoparticles for the direct conversion of synthesis gas to dimethyl ether and hydrocarbons”, Appl. Catal. A, 557, 99-107 (2018)

9. A. M. Gänzler, M. Casapu, F. Maurer, H. Störmer, D. Gerthsen, G. Ferré, P. Vernoux, B. Bornmann, R. Frahm, V. Murzin, M. Nachtegaal, M. Votsmeier, J.-D. Grunwaldt, "Tuning the Pt/CeO2-Interface by In Situ Variation of the Pt Particle Size", ACS Catal., 8, 4800–4811 (2018)

10. M. Gentzen, D. E. Doronkin, T. L. Sheppard, J.-D. Grunwaldt, J. Sauer, S. Behrens, "An intermetallic Pd2Ga nanoparticle catalyst for the 1 single step conversion of CO-rich synthesis gas to dimethyl ether",  Appl. Catal. A, General 562 206-214 (2018)

11. Y. Fam, T. L. Sheppard, A. Diaz, T. Scherer, M. Holler, W. Wang, D. Wang, P. Brenner, A. Wittstock, J.-D. Grunwaldt, "Correlative multiscale 3D imaging of a hierarchical nanoporous gold catalyst by electron, ion and X-ray nanotomography", ChemCatChem Volume10, Issue13, Special Issue: Portuguese Conference on Catalysis, Pages 2858-2867 (2018)

12. T.M. Hartmann  Dabros, M. Zingler Stummann, M. Høj, P. Arendt Jensen, J.-D. Grunwaldt, J. Gabrielsen, P. M. Mortensen, A. D. Jensen, "Transportation fuels from biomass fast pyrolysis, catalytic hydrodeoxygenation, and catalytic fast hydropyrolysis", Progress in Energy and Combustion Science, Volume 68, Pages 268-309 (2018)

13. C.C. Schmitt, K. Raffelt, A. Zimina, B. Krause, T. Otto, M. Rapp, J.-D. Grunwaldt, N. Dahmen, "Hydrotreatment of Fast Pyrolysis Bio-oil Fractions Over Nickel-Based Catalyst", Topics in Catalysis Volume 61, Issue 15-17, pp 1769-1782, DOI: 10.1007/s11244-018-1009-z (2018)

14. O.R. Schade, K.F. Kalz, D. Neukum, W. Kleist, J.-D. Grunwaldt, "Supported gold- and silver-based catalysts for the selective aerobic oxidation of 5-(hydroxymethyl)furfural to 2,5-furandicarboxylic acid and 5-hydroxymethyl-2-furancarboxylic acid", Green Chem., 20, 3530-3541 (2018)

15. C. Boscagli, M.T. Morgano, K. Raffelt, H. Leibold, J.-D. Grunwald "Influence of feedstock, catalyst, pyrolysis and hydrotreatment temperature on the composition of upgraded oils from intermediate pyrolysis” Biomass and Bioenergy Volume 116, Pages 236-248 (2018)

16. B. Kerkeni, C. Berthout, D. Berthomieu, D.E.Doronkin, M. Casapu, J.-D. Grunwaldt, C. Chizallet "Copper Coordination to Water and Ammonia in CuII-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments” J. Phys. Chem. C, 122 (29), pp 16741–16755 (2018)

17. P. Sprenger, M. Stehle, A. Gaur, A. M. Gänzler, D. Gashnikova, W. Kleist, J.-D. Grunwaldt "Reactivity of bismuth molybdates for selective oxidation probed by correlative operando spectroscopies" ACS Catal.,  8 (7), pp 6462–6475 (2018)

18. T. Schedlbauer, T., Gremminger, A., Casapu, M., Deutschmann, O. et al., "Impact of the Gas Mixture and Aging Conditions on Formaldehyde Conversion over a Series of Commercial Pt-Based Catalysts" SAE Technical Paper 2018-01-5021, https://doi.org/10.4271/2018-01-5021 (2018)

19. P. Sprenger, T. L. Sheppard, J.-P. Suuronen, A. Gaur, F. Benzi, J.-D. Grunwaldt,  "Structural Evolution of Highly Active Multicomponent Catalysts for Selective Propylene Oxidation", Catalysts 2018, 8(9), 356 (2018)

20. B. Torkashvand, P. Lott, D. Zengel, L. Maier, M. Hettel, J.-D. Grunwaldt, O. Deutschmann, "Homogeneous Oxidation of Light Alkanes in the Exhaust of Turbocharged Lean-Burn Gas Engines", Chem. Eng. J, accepted, https://doi.org/10.1016/j.cej.2018.08.186 (2018)

21. C. Carriel Schmitt, M. B. G. Reolon, M. Zimmermann, K. Raffelt, J.-D. Grunwaldt, N. Dahmen, "Synthesis and regeneration of nickel-based catalysts for hydrodeoxygenation of beech wood fast pyrolysis bio-oil", Environmental Catalysis, A section of Catalysts (ISSN 2073-4344), accepted (2018)

22. J.-D. Grunwaldt, A. Frenkel, "Synchrotron Radiation and Neutrons for Catalysis, Materials Research and Development" (Conference Paper), Synchrotron Radiation News, Volume 31, Issue 3, 4, Pages 56-58 (2018)

23.  A. Staerz, I. Boehme, D. Degler, M. Bahri, D.E. Doronkin, A. Zimina, H. Brinkmann, S. Herrmann, B. Junker, O. Ersen, J.-D. Grunwaldt, U. Weimar, N. Barsan, "Rhodium oxide surface-loaded gas sensors,", Nanomat. 8, 892 (2018)

24. Y. Zhou, D. E. Doronkin, Z. Zhao, P. N. Plessow, J. Jelic, B. Detlefs T. Pruessmann, F. Studt, J.-D. Grunwaldt, "Photothermal Catalysis over Nonplasmonic Pt/TiO2 Studied by Operando HERFD-XANES, Resonant XES, and DRIFTS", ACS Catal., 8 (12), pp 11398–11406 (2018)

 

Publications 2017

1.  K. Kalz, R. Kraehnert, M. Dvoyashkin, R. Dittmeyer, R. Gläser, U. Krewer, K. Reuter, J.-D. Grunwaldt, “Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions”, ChemCatChem 9, 17-29 (2017)

2. E. Ogel, S. A. Müller, A. Sackmann, F. Gyger, P. Bockstaller, E. Brose, M. Casapu, L. Schöttner, D. Gerthsen, C. Feldmann, J.-D. Grunwaldt, "Comparison of Catalytic Performance and CO-Sensing Behavior of Pd-SnO2 Core@Shell Nanocomposites", ChemCatChem 9, 407-413 (2017)

3. D. Miao, G. Cavusoglu, H. Lichtenberg, J. Yua, H. Xua, J.-D. Grunwaldt, A. Goldbach, "Water-gas shift reaction over platinum/strontium apatite catalysts", Appl. Catal. B 202, 587-596 (2017)

 4. D.E. Doronkin, H. Lichtenberg, J.-D. Grunwaldt, "Cell Designs for In Situ and Operando Studies", in: "XAFS Techniques for Catalysts, Nanomaterials, and Surfaces? (editors: Y. Iwasawa, K. Asakura, and M. Tada), Springer International Publishing Switzerland, 75-89 (2017)

5. H.W.P. Carvalho, D. Degler, N. Barsan and J.-D. Grunwaldt, "Sensors", in: "XAFS Techniques for Catalysts, Nanomaterials, and Surfaces" (editors: Y. Iwasawa, K. Asakura, and M. Tada), Springer International Publishing Switzerland, 383-396 (2017)

6. J.M. Christensen, D. Deiana, J.-D. Grunwaldt, A.D. Jensen, “Effect of NO2 and water on the catalytic oxidation of soot”, Appl. Catal. B 205, 182 (2017)

7. M. Casapu, A. Fischer, A.M. Gänzler, R. Popescu, M. Crone, D. Gerthsen, M. Türk, J.-D. Grunwaldt, "Origin of the Normal and Inverse Hysteresis Behavior during CO Oxidation over Pt/Al2O3", ACS Catal. 7, 343 (2017)

8. J. Reinhardt, R. Hoppe, G. Hofmann, C.D. Damsgaard, J. Patommel, C. Baumbach, S. Baier, A. Rochet, J.-D. Grunwaldt, G. Falkenberg, C.G. Schroer, "Beamstop-based low-background ptychography to image weakly scattering objects”, Ultramicroscopy 173, 52 (2017)

9. B. Torkashvand, A. Gremminger, S. Valchera, M. Casapu, J.-D. Grunwaldt, O. Deutschmann, “ The impact of pre-turbine catalyst placement on methane oxidation in lean-burn gas engines: An experimental and numerical study”, SAE technical papers, Doi:10.4271/2017-01-1019 (2017)

10. K. Hengst,  D. A. J. M.Ligthart, D. Doronkin, K. Walter, W. Kleist, E. Hensen, J.-D. Grunwaldt, "Continuous Synthesis of γ–Valerolactone in a Trickle-bed Reactor over Supported Nickel Catalysts" Ind. Eng. Chem. Res. 56, 2680 (2017)

11. S. Baier, C.D. Damsgaard, M. Klumpp, J. Reinhardt, T. Sheppard, Z. Balogh, T. Kasama, F. Benzi, J.B. Wagner, W. Schwieger, C.G. Schroer, J.-D. Grunwaldt, "Stability of a bifunctional Cu-based core@zeolite shell catalyst for DME synthesis under redox conditions studied by ETEM and in situ X-ray ptychography", Microscop. Microanal. 23, 501-512 (2017)

12. T.L. Sheppard, S.W.T. Price, F. Benzi, S. Baier, M. Klumpp, R. Dittmeyer, W. Schwieger, J.-D. Grunwaldt, “In situ Multimodal 3D Chemical Imaging of a Hierarchically-Structured Core@Shell Catalyst”, J. Am. Chem. Soc. 139, 7855 (2017)

13. A. Gremminger, P. Lott, M. Merts, M. Casapu, J. -D. Grunwaldt, O. Deutschmann, "Sulfur poisoning and regeneration of bimetallic Pd-Pt methane oxidation catalysts”  AppCatal. 218, 833-843 (2017)

14. D. Ferri, A.Gaur, J.-D. Grunwaldt, “Genesis of a Co-salicylaldimine complex on silica followed in situ by FTIR and XAS"  ChemPhysChem 18, 2835, DOI: 10.1002/cphc.201700550 (2017)

15. D. Chakraborty, C.D. Damsgarrd, H. Silva, C. Conradsen, JL Olsen, H.W.P. Carvalho., B. Mutz, T. Bligaard, M.J. Hoffmann, J.-D. Grunwaldt, F. Studt, I. Chorkendorff, "Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Calatyst for Low-Temperatur Ammonia Oxidation" Angew. Chem. Int Ed Engl. 56(30):8711-8715 (2017) and Angew. Chem. Int. Ed. 129, 8837-8841 (2017)

16. C. Boscagli , K. Raffelt, J.-D. Grunwaldt, “Reactivity of platform molecules in pyrolysis oil and in water during hydrotreatment over nickel and ruthenium catalysts, Biomass and Bioenergy”, Biomass and Bioenergy 106, 63-73 (2017)

17. P. Sprenger, W. Kleist, J.-D. Grunwaldt, "Recent advances in selective propylene oxidation over bismuth molybdate based catalysts: Novel synthetic, spectroscopic and theoretical approaches" ACS Catal., 7, pp 5628–5642 (2017)

18. M. L. Traulsen,, H. W. P. de Carvalho, P. Zielke, J.-D. Grunwaldt “The effect of electrical polarisation on electronic structure in LSM electrodes: An operando XAS, RIXS and XES study”, J. Electrochem. Soc.,  volume 164, 10, F3064-F3072 (2017)

19. C. Boscagli, C. Yang, A. Welle, W. Wang, S. Behrens, K. Raffelt, J.-D. Grunwaldt, “Effect of pyrolysis oil components on the activity and selectivity of nickel-based catalysts during hydrotreatment” Appl. Catal. A, 544, 161–172 (2017)

20. B. Mutz, M. Belimov, W. Wang, P. Sprenger, M.-A. Serrer, D. Wang, P. Pfeifer, W. Kleist, J.-D. Grunwaldt, “Potential of an Alumina-Supported Ni3Fe Catalyst in the Methanation of CO2: Impact of Alloy Formation on Activity and Stability”, ACS Catal., 7, 6802, DOI: 10.1021/acscatal.7b01896 (2017)

21. A.M. Gänzler, M. Casapu, P. Vernoux, S. Loridant, F.J. Cadete Santos Aires, T. Epicier, B. Betz, R. Hoyer, J.-D. Grunwaldt, “Tuning the structure of Pt particles on ceria in situ for enhancing the catalytic performance of exhaust gas catalysts”, Angew. Chem.Int. Ed. 56,  13078-13082 , DOI: 10.1002/anie.201707842 (2017)

22. F. Benzi, T. L. Sheppard, D. E. Doronkin, D. M. Meira, A. M. Gänzler, S. Baier and J.-D. Grunwaldt, “Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle” Catal. Sci. Technol. 7, 3999,DOI: 10.1039/C7CY00926G (2017)

23. B. Mutz, A.M. Gänzler, M. Nachtegaal, O. Müller, R. Frahm, W. Kleist, J.-D. Grunwaldt, “Surface Oxidation of Supported Ni Particles and its Impact on the Catalytic Performance during Dynamically Operated Methanation of CO2”, Catalysts, 7, 279 (2017)

24. G. Tofighi, H. Lichtenberg, J. Pesek, T.L. Sheppard, W. Wang, L. Schöttner, G. Rinke, R. Dittmeyer, J.-D. Grunwaldt, “Continuous Microfluidic Synthesis of Colloidal Ultrasmall Gold Nanoparticles: In situ Investigation of the Early Reaction Stages and Application for Catalysis”, React. Chem. Eng. 2, 876-884, DOI: 10.1039/C7RE00114B. (2017)

25. C. Rumancev, A. R. von Gundlach, S. Baier, A. Wittstock, J. Shi, F. Benzi, T. Senkbeil, S. Stuhr, V. M. Garamus, J.-D. Grunwaldt, A. Rosenhahn, Morphological analysis of cerium oxide stabilized nanoporous gold catalysts by soft X-ray ASAXS, RSC Adv, 7, 45344,  DOI: 10.139/c7ra05396g (2017)

26. A. Zimina, K. Dardenne, M. A. Denecke, E. Huttel, H. Lichtenberg, S. Mangold, T. Prüßmann, J. Rothe, Th. Spangenberg, R. Steininger , T. Vitova, H. Geckeis, J.-D. Grunwaldt, “CAT-ACT – a new highly versatile X-ray spectroscopy beamline for catalysis and radionuclide science at the KIT synchrotron light facility ANKA”, Review of Scientific Instruments, Rev Sci Instrum. 88(11):113113. DOI: 10.1063/1.4999928 (2017)

27. P. Sprenger, W. Kleist, J.-D. Grunwaldt,  “Recent Advances in Selective Propylene Oxidation over Bismuth Molybdte Based Catalysts: Synthetic, Spectroscopic, and Theoretical Approaches” ACS Catal., 7, pp 5628–5642, DOI: 10.1021/acscatal.7b01149 (2017)

 

 

Publications 2016

1. P.M. Mortensen, H.W.P. Carvalho, J.-D. Grunwaldt, P.A. Jensen, A.D. Jensen, “Influence of Nickel Particle Size on the Hydrodeoxygenation of Phenol over Ni/SiO2”, Catal. Today, 259, 277 (2016).

2. M. Gentzen, W. Habicht, D. E. Doronkin, J.-D. Grunwaldt, J. Sauer, S. Behrens, Bifunctional hybrid catalysts derived from Cu/Zn-based nanoparticles for single-step dimethyl ether synthesis, Catal. Sci. Technol., 6, 1054 (2016).

3. D.E. Doronkin, A.B. Kuriganovac, I.N. Leontyev, S. Baier, H. Lichtenberg, N.V. Smirnova, J.-D. Grunwaldt, “Electrochemically synthesized Pt/Al2O3 oxidation catalysts”, Catal. Lett., 146, 452 (2016).

4. S. Baier, C. D. Damsgaard, M. Scholz, F. Benzi, A. Rochet, R. Hoppe, T. Scherer, J. Shi, A. Wittstock, B. Weinhausen , J. B. Wagner, C. G. Schroer and J.-D. Grunwaldt, "In situ ptychography of heterogeneous catalysts using hard X-rays: high resolution imaging at ambient pressure and elevated temperature", Microscop. Microanal. 22, 178 (2016).

5. Y. Zhou, Z. Zhao, F. Wang, K. Cao, D.E. Doronkin, F. Dong, J.-D. Grunwaldt, "Facile synthesis of surface N-doped Bi2O2CO3: Origin of visible lightphotocatalytic activity and in situ DRIFTS studies" J. Hazardous Mat. 307 163–172 (2016)

6. J.M. Christensen, J.-D. Grunwaldt, A.D. Jensen, “Importance of the oxygen bond strength for catalytic activity in soot oxidation”, Appl. Catal. B, 188, 235 (2016).

7. A. Zimina, I. Vilfan, D. Vrbanic, V. Nicolosi, D. Batchelor, R. Steininger, D. Mihailovic, "Electronic structure of purified Mo6S(9-x)Ix nanowires studied by X-ray spectroscopy", Journal of Electron Spectroscopy and Related Phenomena 207, 29-33. doi:10.1016/j.elspec.2015.12.004 (2016).

8. H.- S. Grunwaldt, A. Zimina, J. Göttlicher, R. Steinniger, J.- D. Grunwaldt, "Study of the relation between Mg content and dissolution kinetics of natural lime stone using µXRF, µXRD and µXAS", J. Phys. Conf. Ser. 712, 012144 (2016).

9. A. M. Gänzler, H. Lichtenberg, A. I. Frenke, M. Casapu, A. Boubnov, D. Wang, J.-D. Grunwaldt, "Using combined XAS/DRIFTS to study CO/NO Oxidation over Pt/Al2O3 catalysts", J. Phys. Conf. Ser. 712, 012045 (2016).

10. G. Cavusoglu, F. Dallmann, H. Lichtenberg, A. Goldbach, R. Dittmeyer, J.-D. Grunwaldt, "In situ characterization of catalysts and membranes in a microchannel under high-temperature water gas shift reaction conditions", J. Phys. Conf. Ser. 712, 012054 (2016).

11. G. Cavusoglu, H. Lichtenberg, A. Gaur, A. Goldbach, J.-D. Grunwaldt, "Flame made ceria supported noble metal catalysts for efficient H2 production via the water gas shift reaction",  J. Phys. Conf. Ser. 712, 012065 (2016).

12. T. Günter, D. E. Doronkin, H. W. P. Carvalho, M. Casapu, J.-D. Grunwaldt, "HERFD-XANES and XES as complementary operando tools for monitoring the structure of Cu-based zeolite catalysts during NOx-removal by ammonia SCR",  J. Phys. Conf. Ser. 712, 012071 (2016).

13. D. E. Doronkin, S. Baier, T. Sheppard, F. Benzi, J.-D. Grunwaldt, "Lithographically fabricated silicon microreactor for operando QEXAFS studies in exhaust gas catalysis during simulation of a standard driving cycle", J. Phys. Conf. Ser. 712, 012030 (2016).

14. G. Hofmann, G. Tofighi, G. Rinke, S. Baier, A. Ewinger, A. Urban, A. Wenka, S. Heideker, A. Jahn, R. Dittmeyer, J.-D. Grunwaldt, "A Microfluidic Device for the Investigation of Rapid Gold Nanoparticle Formation in Continuous Turbulent Flow", J. Phys. Conf. Ser. 712, 012072 (2016).

15. B. Mutz, H. W. P. Carvalho, W. Kleist, J.-D. Grunwaldt, "Dynamic transformation of small Ni particles during methanation of CO2 under fluctuating reaction conditions monitored by operando X-ray absorption spectroscopy", J. Phys. Conf. Ser. 712, 012050 (2016).

16. C. Schöttle, D.E. Doronkin, R. Popescu, D. Gerthsen, J.-D. Grunwaldt and C. Feldmann, “Ti0 Nanoparticles via Lithium-Naphthalenide-driven Reduction”, Chem. Comm., 52, 6316 (2016).

17. D. Degler, H.W.P. Carvalho, K. Kvashnina, J.-D. Grunwaldt, U. Weimar and N. Barsan, “Structure and chemistry of surface-doped Pt:SnO2 gas sensing materials”, RSC Adv. 6, 28149 (2016).

18. A. Zimina, K. Dardenne, M.A. Denecke, J.-D. Grunwaldt, E. Huttel, H. Lichtenberg, S. Mangold, T. Pruessmann, J. Rothe, R. Steininger and T.Vitova, "The CAT-ACT Beamline at ANKA: A new high energy X-ray spectroscopy facility for CATalysis and ACTinide research", J. Phys. Conf. Ser. 712, 012019 (2016).

19. J.-D. Grunwaldt, M. Hagelstein, J. Rothe, “The 16th International Conference on X-ray Absorption Fine Structure (XAFS16)”, J. Phys. Conf. Ser. 712 011001 (2016).

20. T. Günter, D.E. Doronkin, A. Boubnov, H.W.P. Carvalho, M. Casapu and J.-D. Grunwaldt, “The SCR of NOx with NH3 examined by novel X-ray emission and X-ray absorption methods”, Topics Catal. 59.866 (2016).

21. P.M. Mortensen, D. Gardini, C.D. Damsgaard, J.-D. Grunwaldt, P.A. Jensen, J.B. Wagner, A.D. Jensen, “Deactivation of Ni-MoS2 by bio-oil impurities during hydrodeoxygenation of phenol and octanol”, Appl. Catal. A 523, 159 (2016).

22. S. Baier, A. Wittstock, C.D. Damsgaard, A. Diaz, J. Reinhardt, F. Benzi, J. Shi, T. Scherer, D. Wang, C. Kübel, C.G. Schroer, J.-D. Grunwaldt, "Influence of gas atmospheres and ceria on the stability of nanoporous gold studied by environmental electron microscopy and in situ ptychography", RSC Adv., 6, 83031 – 83043 (2016).

23. T. Günter, J. Pesek, K. Schäfer, A.B. Abai, M. Casapu, O. Deutschmann, J.-D. Grunwaldt, "Cu-SSZ-13 as pre-turbine NOx-removal-catalyst: Impact of pressure and catalyst poisons, Appl. Catal. B, 198, 548-557 (2016)

24. Y. Zhou, D. Doronkin, M. Chen, S. Wie,  J.-D. Grunwaldt, "Interplay of Pt and Crystal Facets of TiO2: CO Oxidation Activity and Operando XAS/DRIFTS Studies" ACS Catal., 6, 7799-7809 (2016).

25. A. Boubnov, A. Roppertz, M.D. Kundrat, S. Mangold, B. Reznik, C.R. Jacob, S. Kureti, J.-D. Grunwaldt, "Towards advanced structural analysis of iron oxide clusters on the surface of γ-Al2O3 using EXAFS", Appl. Surf. Sci., 286, 234 (2016)

26. D. Degler, S. Rank, S. Müller, H.W.P. Carvalho, J.-D. Grunwaldt, U. Weimar, N. Barsan, "Gold-loaded Tin Dioxide Gas Sensing Materials: Mechanistic Insights and the Role of Gold Dispersion" ACS Sensors 1, 1322 (2016)

 

Publications 2015

1. B. Mutz, H.W.P. Carvalho, S. Mangold, W. Kleist, J.-D. Grunwaldt, "Methanation of CO2: Structural response of a Ni-based catalyst under fluctuating reaction conditions unraveled by operando spectroscopy", J. Catal. 327, 48 (2015).

2. K. Schuh, W. Kleist, M. Hoj; A.D. Jensen, P. Beato, G.R. Patzke, "Systematic study on the influence of the morphology of a-MoO3 in the selective oxidation of propylene", J. Sol. State 228, 42 (2015) .

3. T. Günter, H.W.P. Carvalho, D.E. Doronkin, T. Sheppard, P. Glatzel, A.J. Atkins, J. Rudolph, C.R. Jacob, M. Casapu, J.-D. Grunwaldt, “Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13”, Chem. Commun 51, 9227 (2015).

4. R. Dittmeyer, J.-D. Grunwaldt, A. Pashkova, "A review of catalyst performance and novel reaction engineering concepts in direct synthesis of hydrogen peroxide", Catal. Today 248, 149 (2015).

5. M. Hellinger, H.W.P. Carvalho, S. Baier, D. Wang, W. Kleist, J.-D. Grunwaldt, "Catalytic hydrodeoxygenation of guaiacol over platinum supported on metal oxides and zeolites", Appl. Catal. A 490, 181 (2015).

6. G. Hofmann, A. Rochet, E. Ogel, M. Casapu, S. Ritter, M. Ogurreck, J.-D. Grunwaldt, "Aging of a Pt/Al2O3 exhaust gas catalyst monitored by quasi in situ X-ray micro computed tomography", RSC Adv. 5, 6893 (2015).

7. A.M. Gänzler, M. Casapu, A. Boubnov, O. Müller, S. Conrad, H. Lichtenberg, R. Frahm, J.-D. Grunwaldt, “Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during Oscillatory CO Oxidation”, J. Catal. 328, 216 (2015).

8. G. Cavusoglu, D. Miao, H. Lichtenberg, H.W.P. Carvalho, H. Xu, A. Goldbach, J.-D. Grunwaldt, "Structure and Activity of Flame made Ceria supported Rh and Pt Water Gas Shift Catalysts”, Appl. Catal. A, 504, 381 (2015).

9. K.M. Walter, M. Schubert, W. Kleist, J.-D. Grunwaldt, "Effect of the Addition of Ethanol to Synthesis Gas on the Production of Higher Alcohols over Cs and Ru Modified Cu/ZnO Catalysts”, Ind. Eng. Chem. Res. 54, 1452 (2015).

10. W.Y. Teoh, D.E. Doronkin, G.K. Beh, J. Dreyer, J.-D. Grunwaldt, "Methanation of carbon monoxide over promoted flame-synthesized cobalt clusters stabilized in zirconia matrix", J. Catal. 326, 182 (2015).

11. P.M Mortensen, H.W.P Carvalho, J.-D. Grunwaldt, P.A. Jensen, A.D. Jensen, “Activity and Stability of Mo2C/ZrO2 as Catalyst for Hydrodeoxygenation of Mixtures of Phenol and 1-Octanol”, J. Catal. 328, 208 (2015).

12. A. Boubnov, H. Lichtenberg, S. Mangold, J.-D. Grunwaldt, “Identification of iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis”, J. Synchrotron Rad. 22, 410-426 (2015).

13. K. Hengst, M. Schubert, W. Kleist, J.-D. Grunwaldt, "Hydrodeoxygenation of Lignocellulose-Derived Platform Molecules", in: Catalytic Hydrogenation for Biomass Valorization (R. Rinaldi, ed.), p. 125, 2015, DOI:10.1039/9781782620099-00125

14. M. Tepluchin, D.K. Pham, M. Casapu, L. Mädler, S. Kureti, J.-D. Grunwaldt, "Influence of single- and double-flame spray pyrolysis on the structure of MnOx/?-Al2O3 and FeOx/?-Al2O3 catalysts and their behaviour in CO removal under lean exhaust gas conditions", Catal. Sci. Technol. 5, 455 (2015).

15. D. Degler, H.W.P. Carvalho, U. Weimar, N. Barsan, D. Pham, L. Mädler, J.-D. Grunwaldt, "Structure-function relationships of conventionally and flame made Pd-doped sensors studied by X-ray absorption spectroscopy and DC-resistance”, Sensor Act. B 219, 315 (2015).

16. K. Hengst, M. Schubert, H.W.P. Carvalho, C. Lu, W. Kleist, J.-D. Grunwaldt, “Synthesis of ?-Valerolactone by Hydrogenation of Levulinic Acid over Supported Nickel Catalysts”, Appl. Catal. A 502, 18 (2015).

17. S. Baier, A. Rochet, G. Hofmann, M. Kraut, J.-D. Grunwaldt, Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts - enabling correlative characterization techniques”, Rev. Sci. Instr. 86, 065101 (2015).

18. M. Hellinger, S. Baier, P.M. Mortensen, W. Kleist, A.D. Jensen, J.-D. Grunwaldt, “Continuous catalytic hydrodeoxygenation of guaiacol over Pt/SiO2 and Pt/H-MFI-90”, Catalysts 5, 1152 (2015).

19. E.M. Fiordaliso, I. Sharafutdinov, H.W.P. Carvalho, J.-D. Grunwaldt, T.W. Hansen, I. Chorkendorff, J.B. Wagner, C.D. Damsgaard, Intermetallic GaPd2/SiO2 nanoparticles for low pressure CO2 hydrogenation to methanol: catalytic performance and in situ characterization, ACS Catal. 5, 5827 (2015).

20. M. Tepluchin, S. Kureti, M. Casapu, E. Ogel, S. Mangold, J.-D. Grunwaldt, “Study on the hydrothermal and SO2 stability of Al2O3-supported manganese and iron oxide catalysts for lean CO oxidation”, Catal. Today, 258, 498 (2015).

21. K. Schuh, W. Kleist, M. Høj , V. Trouillet , P. Beato, A.D. Jensen, J.-D. Grunwaldt, “Bismuth molybdate catalysts prepared by mild hydrothermal synthesis: Influence of pH on the selective oxidation of propylene”, Catalysts 5, 1554 (2015).

22. E. Japke, M. Casapu, V. Trouillet, O. Deutschmann, J.-D. Grunwaldt, "Soot and hydrocarbon oxidation over vanadia-based SCR catalysts”, Catal. Today, 258, 461 (2015).

23. C. Boscagli, K. Raffelt, T.A. Zevaco, W. Olbrich, T.N. Otto, J. Sauer, J.-D. Grunwaldt, Mild hydrotreatment of the light fraction of fast-pyrolysis oil produced from straw over nickel-based catalysts, Biomass and Bioenergy, 83, 525 (2015).

24. A.T. Gremminger, H.W.P. Carvalho, R. Popescu, J.-D. Grunwaldt, O. Deutschmann, "Influence of gas composition on activity and durability of bimetallic Pd-Pt/Al2O3 catalysts for total oxidation of methane”, Catal. Today 258, 470 (2015).

25. M. Hellinger, H.W.P. Carvalho, S. Baier, L. Gharnati, J.-D. Grunwaldt, Solvent influence in the hydrodeoxygenation of guaiacol over Pt/SiO2 and Pt/H-MFI 90 catalyst, Chem.Ing.Techn., 87, 1771 (2015).

26. M. A. Gotthardt, S. Grosjean, T. S. Brunner, J. Kotzel, A. M. Gänzler, S. Wolf, S. Bräse, W. Kleist, "Synthesis and post-synthetic modification of amine-, alkyne-, azide- and nitro-functionalized metal-organic frameworks based on DUT-5", Dalton Trans. 44 16802 (2015).

27. M. A. Gotthardt, R. Schoch, T. S. Brunner, M. Bauer, W. Kleist, "Design of Highly Porous Single-Site Catalysts through Two-Step Postsynthetic Modification of Mixed-Linker MIL-53(Al)", ChemPlusChem, 80 188 (2015).

28. M. A. Gotthardt, R. Schoch, S. Wolf, M. Bauer, W. Kleist, "Synthesis and characterization of bimetallic metal-organic framework Cu-Ru-BTC with HKUST-1 structure", Dalton Trans., 44, 2052 (2015).

29. F. G. E. Nogueira, P. G. M. Assaf, H. W. P. Carvalho, E. M. Assaf, "Catalytic steam reforming of acetic acid as a model compound of bio-oil", Appl. Catal. B, 162, 611 (2015).
 

Publications 2014

  • Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanol

    I. Sharafutdinov, C.F. Elkjær, H.W.P. Carvalho, D. Gardini, G.L. Chiarello, Ch.D. Damsgaard, J.B. Wagner, J.-D. Grunwaldt, S. Dahl, I. Chorkendorff

    J. Catal. 322, 77 (2014).

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  • Confined-Space Alloying of Nanoparticles for the Synthesis of Efficient PtNi Fuel-Cell Catalysts

    C. Baldizzone, S. Mezzavilla, H.W.P. Carvalho, J.C. Meier, A.K. Schuppert, M. Heggen, C. Galeano, J.-D. Grunwaldt, F. Schüth, K.J.J. Mayrhofer

    Angew. Chem. Int. Ed. 53,14250 (2014).

    uniLogo | Article HTML | Article PDF

  • Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanol

    I. Sharafutdinov, C.F. Elkjær, H.W.P. Carvalho, D. Gardini, G.L. Chiarello, Ch.D. Damsgaard, J.B. Wagner, J.-D. Grunwaldt, S. Dahl, I. Chorkendorff

    J. Catal. 322, 77 (2014).

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  • One-step synthesis of bismuth molybdate catalysts via flame spray pyrolysis for the selective oxidation of propylene to acrolein

    K. Schuh, W. Kleist, M. Høj, Trouillet, A. D. Jensen, J.-D. Grunwaldt

    Chem. Comm. 15404 (2014). 

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  • Confined-Space Alloying of Nanoparticles for the Synthesis of Efficient PtNi Fuel-Cell Catalysts

    C. Baldizzone, S. Mezzavilla, H.W.P. Carvalho, J.C. Meier, A.K. Schuppert, M. Heggen, C. Galeano, J.-D. Grunwaldt, F. Schüth, K.J.J. Mayrhofer

    Angew. Chem. Int. Ed., DOI: 10.1002/anie.201406812.

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  • Ceria prepared by flame spray pyrolysis as an efficient catalyst for oxidation of diesel soot

    J.M. Christensen, D. Deiana, J.-D. Grunwaldt, A.D. Jensen

    Catalysis Letters 144, 1661 (2014).

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  • Selective catalytic reduction of NO over Fe-ZSM-5: Mechanistic insights by operando HERFD-XANES and valence-to-core XES spectroscopy

    A. Boubnov, H.W.P. Carvalho, D.E. Doronkin, T. Günter, E. Gallo, A.J. Atkins, C.R. Jacob, J.-D. Grunwaldt

    J. Am. Chem. Soc. 136, 13006 (2014).

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  • Selective oxidation of propylene to acrolein ba hydrothermally synthesized bismuth molybdates

    K. Schuh, W. Kleist, M. Høj, V. Trouillet, P. Beato, A.D. Jensen, G.R. Patzke, J.-D. Grunwaldt

    Appl. Catal. A, 482, 145 (2014). 

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  • Stability and Resistance of Nickel Catalysts for Hydrodeoxygenation: Carbon deposition and effects of Sulfur, Potassium, and Chlorine in the Feed

    P.M. Mortensen, D. Gardini, H.W.P. de Carvalho,C.D. Damsgaard, J.-D. Grunwaldt, P.A.Jensen, J.B. Wagner, A.D. Jensen

    Catal. Sci. Technol., 4, 3672 (2014).

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  • One step flame-made fluorinated Pt/TiO2 photocatalysts for hydrogen production

    G.L. Chiarello, M. Vittoria Dozzi , M. Scavini, J.-D. Grunwaldt, E. Selli

    Applied Catalysis B: Environmental, 160-161, 144 (2014).

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  • Operando Spatially and Time Resolved XAS Study on Zeolite Catalysts for Selective Catalytic Reduction of NOx by NH3

    D. Doronkin, M. Casapu, T. Günter, O. Müller, R. Frahm, J.-D. Grunwaldt

    J. Phys. Chem. C., 118. 10204-10212 (2014).

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  • Methane Steam Reforming over a Ni-YSZ Solid Oxide Fuel Cell Anode in Stack Configuration

    D. Mogensen, J.-D. Grunwaldt, P.V. Hendriksen, J.U. Nielsen, K. Dam-Johansen

    J. Chem., 710391 (2014).

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  • Fe- and Mn-based catalysts supported on y-Al2O3 for CO oxidation under O2 rich conditions

    M. Tepluchin, M. Casapu, A. Boubnov, H. Lichtenberg, D. Wang, S. Kureti, J.-D. Grunwaldt

    ChemCatChem 6, 1763 (2014).

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  • Ageing Effects on Exhaust Gas Catalysts: Microscopic Changes Captured by X-Ray Tomography

    G. Hofmann, A. Rochet, S. Baier, M. Casapu, S. Ritter, F. Wilde, M. Ogurreck, F. Beckmann, J.-D. Grunwaldt

    J. Phys.: Conf. Ser. 499, 012017 (2014).

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  • Influence of preparation method on supported Cu-Ni alloys and their catalytic properties in high pressure Co hydrogenation

    Q. Wu, W. L. Eriksen, L. D. L. Duchstein, J. M. Christensen, C. D. Damsgaard, B. Temel, J.- D. Grunwaldt, A. D. Jensen

    Catal. Sci. Technol., 4, 378 (2014).

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  • Structure, activity and kinetics of supported molybdenum oxide and mixed molybdenum-vanadium oxide catalysts prepared by flame spray pyrolysis

    M. Høj, A.D. Jensen, T. Kessler, P. Beato, J.-D. Grunwaldt

    Appl. Catal. A 472, 29 (2014).

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  • In situ observation of Cu-Ni alloy nanoparticle formation by X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy: Influence of Cu/Ni ratio

    Q. Wu, L.D.L. Duchstein, G.L. Chiarello, J.M. Christensen, C.D. Damsgaard, C.F. Elkjær, J.B. Wagner, B. Temel, J.-D. Grunwaldt, A.D. Jensen

    ChemCatChem 6, 301 (2014).

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  • Pd@SnO2 and SnO2@Pd Core@Shell Nanocomposite Sensors

    F. Gyger, A. Sackmann, M. Hübner, P. Bockstaller, D. Gerthsen, H. Lichtenberg, J.-D. Grunwaldt, N. Barsan, U. Weimar, C. Feldmann

    Part. Part. Syst. Char. 31, 519 (2014).

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  • Flame-made Cu/ZnO/Al2O3 catalyst for dimethyl ether production

    R. Ahmad, M. Hellinger, M. Buchholz, H. Sezen, L. Gharnati, C. Wöll, J. Sauer, M. Döring, J.-D. Grunwaldt, U. Arnold

    Catal. Commun. 43, 52 (2014).

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  • High Output Catalyst Development in Heterogeneous Gas Phase Catalysis

      Wolfgang Kleist, Jan-Dierk Grunwaldt

          in: Modern Applicatios of High Throughput R&D in Heterogeneous Catalysis, 2014, 354-358,

          Alfred Hagemeyer and Anthony Volpe Jr (Ed).

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    • Ti and Si doping as a way to increase low temperature activity of sulfated Ag/Al2O3 in H2-assisted NH3-SCR of NOx

      D.E. Doronkin, S. Fogel, P. Gabrielsson, J.-D. Grunwaldt, S. Dahl

      Appl. Catal. B, 148-149, 62 (2014).

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    • Catalytic steam reforming of acetic acid as a model compound of bio-oil

      Nogueira, Francisco Guilherme E.; Assaf, Paulo G. M.; Carvalho, Hudson W. P.; Assaf, Elisabete M.

      Appl. Catal. B 160-161, 189 (2014)

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    Publications 2013


     
    • Chemical Energy Storage

            J.M. Christensen, P.V. Hendriksen, J.-D. Grunwaldt, A.D. Jensen     

            in: DTU International Energy Report 2013, eds. H. Hvidtfeld Larsen and L. Sønderberg Petersen, November 2013,

            ISBN: 978-87-550-3968-1.

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        • Experimental determination and modeling of the phase behaviour for the direct synthesis of dimethyl carbonate from methanol and carbon dioxide

              I. Tsivintzelis, N. E. Musko, A. Baiker, J.-D. Grunwaldt, G.M. Kontogeorgis

              The Journal of Supercritical Fluids, 84, 155 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

              Loubna Gharnati, Nikolai E. Musko, Anker D. Jensen, Georgios M. Kontogeorgis, J.-D. Grunwaldt

              The Journal of Supercritical Fluids, 82, 106-115 (2013).

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        • Screening of Catalysts for Hydrodeoxygenation of Phenol as a Model Compund for Bio-oil

              Peter N. Mortensen, J.-D. Grunwaldt, Peter A. Jensen, Anker D. Jensen

              ACS Catal., 3, 1774-1785 (2013).

              uniLogo  | Article HTML | Article PDF


         

        • Imaging catalysts at work: A hierarchical approach from the macro- to the meso- and nano-scale

              J.-D. Grunwaldt, J. B. Wagner, R. E. Dunin-Borkowski

              ChemCatChem, 5: 62-80 (2013).

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        • Improving the sensitivity of QEXAFS using modulation excitation spectroscopy

              J. Stötzel, D. Lützenkirchen-Hecht, J.-D. Grunwaldt, R. Frahm

              J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012126 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Structure of alumina supported vanadia catalysts for oxidative dehydrogenation of propane prepared by flame spray pyrolysis

              M. Høj; A.D. Jensen, J.-D. Grunwaldt

              Appl. Catal. A, 451, 207 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • The potential of operando XAFS for determining the role ans structure of noble metal additives in metal oxide based gas sensors

              J.-D. Grunwaldt, M. Hübner, D. Koziej, N. Barsan, U. Weimar

              J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012078 (2013).

              uniLogo  | Article HTML | Article PDF

         

          

        • Structure and reducibility of a Fe/Al2O3 catalyst for selective catalytic reduction studied by Fe K-edge XAFS spextroscopy

              A. Boubnov, H. Lichtenberg, S. Mangold, J.-D. Grunwaldt

               J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012054 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Potential and limitations of natural chabazite for selective catalytic reduction of NOx with NH3

              T. Guenter, M. Casapu, D. Doronkin, S. Mangold, V. Trouillet, T. Augenstein, J.-D. Grunwaldt

              Chem. Ing. Tech. 85, 632 (2013). (on-line; doi:10.1002/cite.201200182)

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        • Oscillatory CO ocidation over Pt/Al2O3 catalysts studied by in situ XAS and DRIFTS

              A. Boubnov, A. Gänzler, S. Conrad, M. Casapu, J.-D. Grunwaldt

              Topics Catal., 56, 333 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Abgasnachbehandlung in mobilen Systemen: Stand der Technik, Herausforderungen und Perspektiven

              O. Deutschmann, J.-D. Grunwaldt

              Chem. Ing. Tech. 85, 595 (2013). (on-line; doi:10.1002/cite.201200188)

              uniLogo  | Article HTML | Article PDF

         

         

        • Spatially Resolved X-ray Absorption Spectroscopy

              C. G. Schroer, J.-D. Grunwaldt

              in: J. A. Rodriguez, P. J. Chupas, J. C. Hanson (Eds.) In-situ Characterization of Heterogeneous Catalysts,

              John Wiley & Sons, Inc, Hoboken, 49-73 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • High-Resolution Chemical Imaging of Gold Nanoparicles Using Hard X-ray Ptychography

              R. Hoppe, H. Reinhardt, J. Patommel, G. Hofmann, J.-D. Grunwaldt, C. D. Damsgaard, G. Wellenreuther,

              G. Falkenberg, C. G. Schoer

              Appl. Phys. Lett. 102, 203104 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Supported molybdenum carbide for higher alcohol synthesis from syngas

              Q. Wu, J. M. Christensen, G. L. Chiarello, L. D. L. Duchstein, J. B. Wagner, B. Temel, J.-D. Grunwaldt, A. D. Jensen

              Catal. Today, on-line; doi: 10.1016/j.cattod.2013.03.002.

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        • Two-nozzle flame spray pyrolysis (FSP) synthesis of CoMo/Al2O3 hydrotreating catalysts

              M. Høj, D. K. Pham, M. Brorson, L. Mädler, A. D. Jensen, J.-D. Grunwaldt

              Catal. Lett., 143, 286 (2013)

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        Publications 2012

         

        • Aerobic Epoxidation of Olefins Catalyzed by the Cobalt-Based Metal–Organic Framework STA-12(Co)

               M.J. Beier, W. Kleist, M.T. Wharmby, R. Kissner, B. Kimmerle, P.A. Wright, J.-D. Grunwaldt, A. Baiker

               Chem. Eur. J. 18, 887 (2012).

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        • In Situ XAS/EDXRD Studies on the Hydrothermal Formation of Bi2W1-xMoxO6 Nanomaterials

              Y. Zhou, E. Antonova, Y. Lin, J.-D. Grunwaldt, W. Bensch, G.R. Patzke

              In: Eur. J. Inorg. Chem., 783 (2012).

              uniLogo  | Article HTML  | Article PDF 

         
         

        • Oscillatory Behavior during the Catalytic Partial Oxidation of Methane: Following Dynamic Structural changes of Palladium using the QEXAFS Technique

              J. Stötzel, R. Frahm, B. Kimmerle, M. Nachtegaal, J.-D. Grunwaldt 

              J. Phys. Chem. C, 599, 559 (2012).

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

        • Mechanistic study of tungstite formation in benzyl alcohol using advanced QEXAFS technique

              I. Olliges-Stadler, J. Stötzel, D. Koziej, M.D. Rossell, J.-D. Grunwaldt, M. Nachtegaal, R. Frahm, Markus Niederberger

             Chem. Eur. J., 18, 2305 (2012)

              uniLogo  | Article HTML | Article PDF

         

         

        • Selective oxidation of benzyl alcohol in dense CO2: insight by phase behavior modeling

              M.J. Beier, J.-D. Grunwaldt, I. Tsivintzelis, A.D. Jensen, G.M. Kontogeorgis, A. Baiker

              In: J. Supercritical Fluids 63, 199 (2012).

               uniLogo | Article HTML  | Article PDF 

         

         

         

         

         

         

         

         

        • Fluid phase equilibria of the reaction mixture during the selective hydrogenation of 2-butenal in dense carbon dioxide

              N.E. Musko, A.D. Jensen, A. Baiker, G.M. Kontogeorgis, J.-D. Grunwaldt

              Appl. Catal. A, 67-75 (2012).

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

        • Structure–activity relationships of Pt/Al2O3 catalysts for CO and NO oxidation at diesel exhaust conditions

              A. Boubnov, S. Dahl, E. Johnson, A. Puig Molina, S. Bredmose Simonsen, F. Morales Cano, S. Helveg,

              L.J. Lemus-Yegres, J.-D. Grunwaldt

              Applied Catalysis B: 126, 25 315-325 (2012)

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

          

        • CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

              F. Studt, F. Abild-Pedersen, Q. Wu, A.D. Jensen, B. Temel, J.-D. Grunwaldt, J.K. Nørskov 

              J. Catal. 293, 51-60 (2012)

             uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

         

        • An Au clusters related spill-over sensitization mechanism in SnO2-based gas sensors identified by operando HERFD-XAS, work function changes, DC resistance and catalytic conversion studies

              M. Hübner, D. Koziej, N. Barsan, U. Weimar, J.-D. Grunwaldt

              Phys. Chem. Chem. Phys 14, 13103 (2012).

             uniLogo  | Article HTML  | Article PDF

         

         

         

         

         

         

        • T-REX - New software for advanced QEXAFS data analysis

               J. Stötzel, D. Lützenkirchen-Hecht, J.-D. Grunwaldt, R. Frahm

               J. Synchrotron Rad. 19, 920 (2012).

             uniLogo  | Article HTML  | Article PDF 

         

         

        • In situ Analysis of Heterogeneous Catalysts in Chemical Energy Conversion

               J.-D. Grunwaldt

               in: R. Schlögl (Ed.) Chemical Energy Storage, Walter de Gruyter GmbH, Berlin/ Boston, ISBN: 978-3-11-026632-0,

               2012, pp. 311.

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        Publications 2011

        2011

        • Internal steam reforming in solid oxide fuel cells: Status and opportunities of kinetic studies and their impact on modelling

              D. Mogensen, J.-D. Grunwaldt, P. V. Hendriksen, K. Dam-Johansen, J. U. Nielsen

              In: J. Power Sources 196, 25 (2011)

               uniLogo  | Article HTML | Article PDF

         

         

        • Characterization of highly porous nanoparticle deposits by permeance measurements Characterization of highly porous

              T. Dokkedal Elmøe, T. Antonio, J.-D. Grunwaldt

              In: Powder Technol. 207, 279 (2011)     

               uniLogo | Article HTML | Article PDF

         

         

         

        • W/Mo-Oxide Nanomaterials: Structure-Property Relationships and Ammonia Sensing Studies  W/Mo-Oxide Nanomaterials

              Y. Zhou, K. Zheng, T. Fox, X. Mo, G. Chen, J.-D. Grunwaldt, L. Gu,

              In: J. Phys. Chem. C 115, 1134 (2011)

              uniLogo | Article HTML | Article PDF 

         

         

         

        • Interplay between size and crystal structure of molybdenum dioxide nanoparticles: synthesis, growth mechanism, and electrochemical performance

              D. Koziej, M.D. Rossell, B. Ludi, A. Hintennach, P. Novák, J.-D. Grunwaldt, M. Niederberger

              In: Small 7, 377 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Experimental determination and modeling of the phase behavior for the selective oxidation of benzyl alcohol in supercritical CO2

              I. Tsivintzelis, M.J. Beier, J.-D. Grunwaldt, A. Baiker, G.M.Kontogeorgis

              In: Fluid Phase Equil. 302, 83 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • The Structure and Behavior of Platinum in SnO2-based sensors under working conditions

              M. Hübner, D. Koziej, M. Bauer, N. Barsan, K. Kvashninad, M.D. Rossell, U. Weimar, J.-D. Grunwaldt

              In: Angew. Chem. 50, 2841 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Kinetics of acetic acid synthesis from ethanol over a Cu/SiO2 catalystKinetics of acetic acid synthesis

              B. Voss, N.C. Schjodt, J-D. Grunwaldt, S.I. Andersen, J.M. Woodley

              In: Appl. Catal. A, 402, 69 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Flame spray synthesis of CoMo/Al(2)O(3) hydrotreating catalysts

              M. Hoj, L. Kasper, T.K. Hansen, M. Brorson, A.D. Jensen, J.-D. Grunwaldt,Flame spray synthesis

             In: Appl. Catal. A, 397, 201 (2011)

              uniLogo | Article HTML | Article PDF

         

         

        • Identification of the active species generated from supported Pd catalysts in Heck reactions: An in situ quick scanning EXAFS investigationIdentification of the Active Species

             S. Reimann, J. Stötzel, R. Frahm, W. Kleist, J.-D. Grunwaldt, A. Baiker,

             In: J. Am. Chem. Soc., 133, 3921 (2011)

              uniLogo | Article HTML | Article PDF

         

         

        • Redox properties of supported copper catalysts studied in liquid and gas phase by in situ ATR-IR and XAS

              C. Mondelli, D. Ferri, J.-D. Grunwaldt, N. Ravasio, A. Baiker,           Redox properties

              In: Catal. Today, 178, 124 (2011)

               uniLogo | Article HTML | Article PDF

         

         

        • A review of catalytic upgrading of bio-oil to engine fuels A review of catalytic

              P.M. Mortensen, J.-D. Grunwaldt, P.A. Jensen, K.G. Knudsen, A.D. Jensen

              In: Appl. Catal. A, 407 1 (2011)

               uniLogo | Article HTML | Article PDF
         

         

        • Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium

              N.E. Musko und J.-D. Grunwaldt

              In: Topics Catal. 54, 16 (1115)

               uniLogo | Article HTML | Article PDF

         

         

         

        Publications and Patents

        2010

        B. Kimmerle, J. D. Grunwaldt, A. Baiker, Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3, Phys. Chem. Chem. Phys. 12, 2288 (2010).

        R. Frahm, M. Nachtegaal, J. Stötzel, M. Harfouche, J.A. van Bokhoven, and J.-D. Grunwaldt, The dedicated QEXAFS facility at the SLS: Performance and Scientific Opportunities. AIP Conf. Proc. 1234, 251 (2010).

        P. N. R. Vennestrom, C. H. Christensen, S. Pedersen, J. D. Grunwaldt, J. M. Woodley, Next-Generation Catalysis for Renewables: Combining Enzymatic with Inorganic Heterogeneous Catalysis for Bulk Chemical Production, Chemcatchem 2, 249 (2010).

        Y. Zhou, J.-D. Grunwaldt, F. Krumeich, K. B. Zheng, G. R. Chen, J. Stotzel, R. Frahm, G. R. Patzke, Hydrothermal Synthesis of Bi6S2O15 Nanowires: Structural, in situ EXAFS, and Humidity-Sensing Studies, Small 6, 1173 (2010).

        F. Conrad, Y. Zhou, M. Yulikov, K. Hametner, S. Weyeneth, G. Jeschke, D. Gunther, J.-D. Grunwaldt, G. R. Patzke, Microwave-Hydrothermal Synthesis of Nanostructured Zinc-Copper Gallates, Eur. J. Inorg. Chem. 13, 2036 (2010).

        A. B. Laursen, K. T. Hojholt, L. F. Lundegaard, S. B. Simonsen, S. Helveg, F. Schuth, M. Paul, J. D. Grunwaldt, S. Kegnoes, C. H. Christensen, K. Egeblad, Substrate Size-Selective Catalysis with Zeolite-Encapsulated Gold Nanoparticles, Angew. Chem. Int. Ed. 49, 3504 (2010). 
         
        C. Mondelli, J. D. Grunwaldt, D. Ferri, A. Baiker, Role of Bi promotion and solvent in platinum-catalyzed alcohol oxidation probed by in situ X-ray absorption and ATR-IR spectroscopy, Phys. Chem. Chem. Phys. 12, 5307 (2010).

        P. N. R. Vennestrom, C. H. Christensen, S. Pedersen, J. D. Grunwaldt, J. M. Woodley, Chemoenzymatic Combination of Glucose Oxidase with Titanium Silicalite-1, Chemcatchem 2, 943 (2010).

        S. Reimann, J.-D. Grunwaldt, T. Mallat, A BaikerAsymmetric C-C Bond-Formation Reaction with Pd: How to Favor Heterogeneous or Homogeneous Catalysis?, Chem. Eur. J. 16, 9658 (2010).

        M.J. Beier, B. Schimmoeller, T.W. Hansen, J.E.T. Andersen, S.E. Pratsinis, J. D. Grunwaldt, Selective side-chain oxidation of alkyl aromatic compounds catalyzed by cerium modified silver catalysts, J. Mol. Catal.  A 331, 40 (2010).

        J.-D. Grunwaldt, C.G. Schroer, Hard and soft X-ray microscopy and tomography in catalysis: Bridging the different time and length scales, Chem. Soc. Rev. 39, 4741 (2010).

        S. Henke, R. Schmid, J.-D. Grunwaldt, R.A. Fischer, "Flexibility And Sorption Selectivity In Rigid Metal-Organic Frameworks: The Impact Of Ether-Functionalised Linkers", Chem. Eur. J. 16, 14296 (2010).

        2009

        F. Jutz, J.-D. Grunwaldt, A. Baiker, “In situ XAS study of the Mn(III)(salen)Br catalyzed synthesis of cyclic organic carbonates from epoxides and CO2”, J. Mol. Catal. A 297, 63 (2009).

        B. Kimmerle, P. Haider, J.-D. Grunwaldt, A. Baiker, P. Boye, C.G. Schroer, “High throughput cell for X-ray absorption spectroscopy applied to study the effect of Au on Rh-catalyzed partial oxidation of methane”, Appl. Catal. A 363, 36 (2009).

        P. Haider, J.-D. Grunwaldt, A. Baiker, Gold supported on Mg, Al and Cu containing mixed oxides: Relation between surface properties and behavior in catalytic aerobic oxidation of 1-phenylethanol, Catal. Today 141, 349 (2009)

        L. Aschwanden, T. Mallat, J.-D. Grunwaldt, A. Baiker, "Gold-catalyzed aerobic oxidation of dibenzylamine: Homogeneous or heterogeneous catalysis?", J. Mol. Catal. A 300, 111 (2009).

        S. Hannemann, J.-D. Grunwaldt, Bertram B. Kimmerle, A. Baiker, P. Boye, C.G. Schroer, "Axial Changes of Catalyst Structure and Temperature in a Fixed-Bed Microreactor During Noble Metal Catalysed Partial Oxidation of Methane", Topics Catal. 52, 1360 (2009).

        J.-D. Grunwaldt, B. Kimmerle, A. Baiker, P. Boye, C.G. Schroer, P. Glatzel, C.N. Borca, F. Beckmann, Catalysts at work: From integral to spatially resolved X-ray absorption spectroscopy, Catal. Today 145, 267 (2009).

        T. Seki, J.-D. Grunwaldt, A. Baiker, “In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Ionic Liquids under “Supercritical” CO2“, J. Phys. Chem. B 113, 114 (2009).

        C.G. Schroer, J.-D. Grunwaldt, “X-Ray Absorption Spectroscopic Microscopy: From the Micro- to the Nanoscale”, Synchr. Rad. News 120, 23 (2009).

        B. Kimmerle, J.-D. Grunwaldt, A. Baiker, P. Glatzel, P. Boye, S. Stephan, C.G. Schroer, “Visualizing a Catalyst at Work during the Ignition of the Catalytic Partial Oxidation of Methane”, J. Phys. Chem. C 113, 3037 (2009).

        D. Koziej, M. Hübner, N. Barsan, U. Weimar, M. Sikora, J.-D. Grunwaldt, "Operando X-ray absorption spectroscopy studies on Pd-SnO2 based sensors", Physical Chemistry Chemical Physics 11, 8620 (2009),, DOI: 10.1039/b906829e.

        M.J. Beier, T.W. Hansen, J.-D. Grunwaldt, "Selective liquid-phase oxidation of alcohols catalyzed by a silver-based catalyst promoted by the presence of ceria", J. Catal. 266, 320 (2009), doi:10.1016/j.jcat.2009.06.022.

        J.-D. Grunwaldt, M. Beier, B. Kimmerle, A. Baiker, M. Nachtegaal, B. Griesebock, D. Lützenkirchen-Hecht, J. Stötzel, R. Frahm, "Structural changes of noble metal catalysts during ignition and extinction of the partial oxidation of methane studied by advanced QEXAFS techniques", Physical Chemistry Chemical Physics 11, 8779 (2009).

        M. Høj, M.J. Beier, J.-D. Grunwaldt, S. Dahl, "The role of monomeric iron during the selective catalytic reduction of NOx by NH3 over Fe-BEA zeolite catalysts", Appl. Catal. B 93, 166 (2009).

        J.-D. Grunwaldt, “Shining X-rays on catalysts at work”, XAFS14 proceedings 190, 012151 (2009).

        J. Stötzel, D. Lützenkirchen-Hecht, R. Frahm, B. Kimmerle, A. Baiker, M. Nachtegaal, M.J. Beier and J.-D. Grunwaldt, “Reduction and re-oxidation of Cu/Al2O3 catalysts investigated with quick scanning XANES and EXAFS”, XAFS14 proceedings 190, 012153 (2009).

        J. Stötzel, D. Lützenkirchen-Hecht, R. Frahm, B. Kimmerle, A. Baiker, M. Nachtegaal, M.J. Beier and J.-D. Grunwaldt, “Investigation of the ignition and extinction behaviour of the noble metal catalysed catalytic partial oxidation of methane”, XAFS14 proceedings 190, 012162 (2009)..

        J.-D. Grunwaldt, , N. van Vegten, A. Baiker, W. van Beek, "Insight into the structure of Pd/ZrO2 during the total oxidation of methane using combined in situ XRD, X-ray absorption and Raman spectroscopy", XAFS14 proceedings 190, 012160 (2009).

        D. Klukowski, P. Balle, B. Geiger, S. Wagloehner, S. Kureti, B. Kimmerle, A. Baiker, J.-D. Grunwaldt, "On the mechanism of the SCR reaction on Fe/HBEA zeolite", Appl. Catal. B 93, 166 (2009).

         

        2008

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, F. Krumeich, A. Baiker, M. Wittrock, S. Eckhoff, Comparative study of structural properties and NOx storage-reduction behavior of Pt/Ba/CeO2 and Pt/Ba/Al2O3, Appl. Catal. B 78, 288 (2008).

        F. Jutz, J.-D. Grunwaldt, A. Baiker, "Mn(III)(salen)-catalyzed synthesis of cyclic organic carbonates from propylene and styrene oxide in supercritical CO2", J. Mol. Catal. A 279, 94 (2008).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, R. Hoyer, M. Wittrock, S.  Eckhoff, “Enhancement of activity and self-reactivation of NSR-catalysts by temporary formation of BaPtO3-perovskite”, Catal. Lett. 120, 1 (2008).

        R. Kiebach, N. Pienack, W. Bensch, J.-D. Grunwaldt, A. Michailovski, A. Baiker, T. Fox, Y. Zhou, G.R. Patzke, "Hydrothermal Formation of W/Mo-Oxides: A Multidisciplinary Study of Growth and Shape”, Chem. Mat. 20, 3022 (2008).

         W.Y. Teoh, R. Setiawan, L. Mädler, J.-D. Grunwaldt, R. Amal, S.E. Pratsinis, ” Ru-Doped Cobalt−Zirconia Nanocomposites by Flame Synthesis: Physicochemical and Catalytic Properties”, Chem. Mat. 20, 4069 (2008).

        T. Seki, J.-D. Grunwaldt, A. Baiker, “Palladium Supported on an Acidic Resin: A Unique Bifunctional Catalyst for the Continuous Catalytic Hydrogenation of Organic Compounds in Supercritical CO2”, Adv. Synth. Catal. 350, 691 (2008).

        P. Haider, J.-D. Grunwaldt, A. Baiker, ” Gold supported on Mg, Al and Cu containing mixed oxides: Relation between surface properties and behavior in catalytic aerobic oxidation of 1-phenylethanol”, Catal. Today, accepted for publication.10.     Kimmerle, P. Haider, J.-D. Grunwaldt, A. Baiker, P. Boye, C.G. Schroer,  “High throughput cell for X-ray absorption spectroscopy applied to study the effect of Au on Rh-catalyzed partial oxidation of methane”, submitted.

        T. Seki, J.-D. Grunwaldt, A. Baiker, “Heterogeneous Catalytic Hydrogenation in Supercritical Fluids: Potential and Limitations” Ind. Chem. Eng. Res., accepted for publication.

        P. Haider, B. Kimmerle, F. Krumeich, W. Kleist, J.-D. Grunwaldt, A. Baiker, “Gold-catalyzed aerobic oxidation of benzyl alcohol: Effect of gold particle size on activity and selectivity in different solvents”, Catal. Lett., accepted for publication.

         

        2007

        S. Hannemann, J.-D. Grunwaldt, D. Günther, F. Krumeich, P. Lienemann, A. Baiker, „Combination of flame synthesis and high throughput experimentation: Preparation of alumina supported noble metal particles and their application in the catalytic partial oxidation of methane”, Appl. Catal. A 316, 226 (2007).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Comparative in situ XAS investigations during aerobic oxidation of alcohols over ruthenium, platinum and palladium catalysts in supercritical CO2”, Catal. Today 126, 27 (2007).

        A. Michailowski, R. Kiebach, W. Bensch, J.-D. Grunwaldt, A. Baiker, S. Komarneni, G.R. Patzke, “Morphological and kinetic studies on hexagonal tungstates”, Chem Mat. 19, 185 (2007).

        S. Hannemann, J.-D. Grunwaldt, N. van Vegten, A. Baiker, P. Boye, C.G. Schroer, "Distinct  Spatial Changes of the Catalyst Structure inside a Fixed-Bed Microreactor during the Partial Oxidation of Methane over Rh/Al2O3", Catal. Today 126, 54 (2007).

        G.D. Pirngruber, J.-D. Grunwaldt, Pijus K. Roy, J.A. van Bokhoven,  O. Safonova, P. Glatzel, “The nature of the active site in the Fe-ZSM-5/N2O system studied by (Resonant) Inelastic X-ray scattering”, Catal. Today 126, 127 (2007).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, M. Wittrock, U. Göbel, S. Eckhoff, “Thermal ageing phenomena and strategies towards reactivation of NOx-storage catalysts”, Topics Catal. 42-43, 3 (2007).

        M. Ramin, S. Reimann, J.-D. Grunwaldt, A. Baiker, "In Situ Monitoring of Ni Catalysts during the Synthesis of Propylene Carbonate", AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 669 (2007).

        J.-D. Grunwaldt, A. Baiker, “Time-resolved and operando XAS studies on heterogeneous catalysts – from the gas phase towards reactions in supercritical fluids”, AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 577 (2007).

        P. Glatzel, M. Sikora, S. G. Eeckhout, O. V. Safonova, G. Smolentsev, G. Pirngruber, J. A. van Bokhoven, J.-D. Grunwaldt, M. Tromp, "Hard X-Ray Photon-In-Photon-Out Spectroscopy with Lifetime Resolution – of XAS, XES, RIXSS and HERFD", AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 1731 (2007).

        B. Kimmerle, J.-D, Grunwaldt, A. Baiker, „Selective alcohol oxidation over gold catalysts with molecular oxygen in „supercritical“ carbon dioxide”, Topics Catal 44, 285 (2007).

        S. Hannemann, M. Casapu, J.-D. Grunwaldt, P. Haider, P. Trüssel, A. Baiker, and E. Welter, “A versatile in situ spectroscopic cell forluorescence/transmission EXAFS and X-ray diffraction of heterogeneous catalysts in gas and liquid phase”, J. Synchrotron Radiat. 14, 345 (2007).

        J.-D. Grunwaldt, B. Kimmerle, S. Hannemann, A. Baiker, P. Boye and C.G. Schroer, “Parallel structural screening of solid materials”,  J. Mater. Chem., 17, 2603 (2007).

        T. Seki, J.-D. Grunwaldt, A. Baiker, "Continuous catalytic “one-pot” multi-step synthesis of 2-ethylhexanal from crotonaldehyde", Chem. Commun., 3562 (2007).

        P. Haider, J.-D. Grunwaldt, A. Baiker, ”Gold supported on Cu-Mg-Al and Cu-Ce mixed oxides: An in situ XANES study on the state of Au during aerobic alcohol oxidation”, J. Catal. 250, 313 (2007).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, S.  Eckhoff, U. Göbel, M. Wittrock, ” The fate of platinum in Pt/Ba/CeO2 and Pt/Ba/Al2O3 catalysts during thermal ageing”, J. Catal. 251, 28 (2007).

        J.-D. Grunwaldt, N. van Vegten , A. Baiker, "Insight into the structure of supported palladium catalysts during the total oxidation of methane", Chem. Commun., 4635 (2007).

        C. Mondelli, D. Ferri, J.-D. Grunwaldt, F. Krumeich, S. Mangold, R. Psaro, A. Baiker, "Combined liquid-phase ATR-IR and XAS study of the Bi-promotion in the aerobic oxidation of benzyl alcohol over Pd/Al2O3", J. Catal. 252, 77 (2007).

        G.L. Chiarello, J.-D. Grunwaldt, D. Ferri, F. Krumeich, C. Oliva, L. Forni, A. Baiker, "Flame synthesised LaCoO3-supported Pd: 1. Structure, thermal stability and reducibility", J. Catal. 252, 127 (2007).

        G.L. Chiarello, D. Ferri, J.-D. Grunwaldt, L. Forni, A. Baiker, "Flame synthesised LaCoO3-supported Pd: 2. Catalytic behaviour in the reduction of NO by H2 under lean conditions", J. Catal. 252, 137 (2007).

         

        2006

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, M. Wittrock, U. Göbel, A. Baiker, "Formation and Stability of Barium Aluminate and Cerate in NOx Storage-Reduction Catalysts”, Appl. Catal. B 63, 232 (2006).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, "Solvent-modified Supercritical CO2: A Beneficial Medium for Heterogeneously Catalysed Oxidation Reactions", Appl. Catal. A 298, 50 (2006).

        S. Hannemann, J.-D. Grunwaldt, F. Krumeich, P. Kappen, A. Baiker, “Electron Microscopy and EXAFS Studies on Oxide-Supported Gold-Silver Nanoparticles Prepared by Flame Spray Pyrolysis”, Appl. Surf. Sci. 252, 7862 (2006).

        I. Ritzkopf, S. Vukojević, C. Weidenthaler, J.-D. Grunwaldt, F. Schüth, “Decreased CO production in methanol steam reforming over Cu/ZrO2 catalysts prepared by the microemulsion technique", Appl. Catal. A 302, 215 (2006).

        J.-D. Grunwaldt, S. Hannemann, C.G. Schroer, A. Baiker, “2D-Mapping of the Catalyst Structure inside a Catalytic Microreactor at Work:  Partial Oxidation of Methane over Rh/Al2O3 “,J. Phys. Chem. B 110, 8674 (2006).

        M. Ramin, J.-D.Grunwaldt, A. Baiker, “IR spectroscopy and phase behavior studies of the catalytic synthesis of propylene carbonate: Expanded liquid versus supercritical fluid”, Appl. Catal. A, 350, 46 (2006).

        M. Caravati, D.M. Meier, J.-D. Grunwaldt, A. Baiker, “Continuous catalytic oxidation of solid alcohols in supercritical CO2: A parametric and spectroscopic study of the transformation of cinnamyl alcohol Pd/Al2O3”, J. Catal. 240, 126 (2006).

        J.-D. Grunwaldt, M. Caravati, A. Baiker, „In situ extended X-ray absorption fine structure study during the selective alcohol oxidation over Pd/Al2O3 in supercritical carbon dioxide”, J. Phys. Chem. B 110, 9916 (2006).

        G.D. Pirngruber, J.-D. Grunwaldt, J.A. van Bokhoven,  A. Kalytta, A. Reller, O. Safonova, P. Glatzel, “On the presence of Fe(IV) in Fe-ZSM-5 and FeSrO3-x – Unequivocal detection of the 3d4-spin system by Resonant Inelastic X-ray Scattering”, J. Phys. Chem. B 110, 18104 (2006).

        M. Ramin, N. van Vegten, J.-D. Grunwaldt, A. Baiker, ”Simple preparation routes towards Zn-based catalysts for the solventless synthesis of propylene carbonate by carbon dioxide insertion”, J. Mol. Catal. A 258, 165 (2006).

        J.-D. Grunwaldt, M. Caravati, A. Baiker, “Oxidic or metallic palladium – which is the active phase in Pd-catalysed alcohol oxidation?”, J. Phys. Chem. Lett. B 110, 25586 (2006).

        L. Maedler, T. Sahm, A. Gurlo, J.-D. Grunwaldt, N. Barsan, U. Weimar, S.E. Pratsinis, ”Sensing Low Concentrations of CO Using Flame-spray-made Pt/SnO2 Nanoparticles”, J. Nanoparticle Res. 8, 783 (2006).

        J.-D. Grunwaldt, S. Hannemann, P. Boye, C.G. Schroer, A. Baiker, “Monitoring a catalyst at work”, Highlight of Analytical Chemistry, Chimia 60, 709 (2006).

         

        2005

        M. Rohr, J.-D. Grunwaldt, A. Baiker, “A Simple Route to Highly Active Ruthenium Catalysts for Formylation Reactions with Hydrogen and Carbon Dioxide “, J. Mol. Catal. A 226, 253 (2005).

        J.-D. Grunwaldt, A. Baiker “Axial Variation of the Oxidation State of Pt-Rh/Al2O3 during Partial Methane Oxidation in a Fixed-bed Reactor: An in situ X-ray Absorption Spectroscopy Study”, Catal. Lett. 99, 5 (2005).

        J.-D. Grunwaldt, C. Kiener, F. Schüth, A. Baiker, “X-ray Absorption Spectroscopy on Cu/ZnO Catalysts Selected by High-throughput Experimentation Techniques”, Physica Scripta T115, 819 (2005).

        C.G. Schroer, M. Kuhlmann, T.F. Günzler, B. Lengeler, M. Richwin, B. Griesebock, D. Lützenkirchen-Hecht, R. Frahm, E. Ziegler, A. Mashayekhi, D.R. Haeffner, J.-D. Grunwaldt, A. Baiker, „Analyzing Biological and Catalyst Samples by Tomographic X-ray Absorption Spectroscopy“, Physica Scripta T115, 1026 (2005).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Benzyl Alcohol Oxidation in “Supercritical” Carbon Dioxide: Spectroscopic Insight into Phase Behaviour and Reaction Mechanism”, Phys. Chem. Chem. Phys. 7, 278 (2005).

        M. Rohr, J.-D. Grunwaldt, A. Baiker, “Formylation with Supercritical Carbon Dioxide over Ru/Al2O3 Modified by Phosphines: Heterogeneous or Homogeneous Catalysis?“, J. Catal. 229, 149 (2005).

        D. Lützenkirchen-Hecht, J.-D. Grunwaldt, M. Richwin, B. Griesebock, A. Baiker, R. Frahm, "Monitoring of fast Transformations in Solid State Chemistry and Heterogeneous Catalysis by QEXAFS in the Second Scale", Physica Scripta T115, 831 (2005).

        J.-D. Grunwaldt, S. Hannemann, J. Göttlicher, S. Manegold, M. Denecke, A. Baiker, „X-ray Absorption Spectroscopy on Heterogeneous Catalysts at the New XAS beamline at ANKA”, Physica Scripta T115, 769 (2005).

        Z. Opre, J.-D. Grunwaldt, M. Maciejewski, D. Ferri, T. Mallat, A. Baiker, "Promoted Ru–hydroxyapatite: Designed Structure for the Fast and Highly Selective Oxidation of Alcohols with Oxygen", J. Catal. 230, 406 (2005).

        J.-D. Grunwaldt, A. Baiker, “In situ Spectroscopic Investigation of Heterogeneous Catalysts and Reaction Media at High Pressure”, Phys. Chem. Chem. Phys. 7, 3526 (2005); invited article.

        J.-D. Grunwaldt, M. Rohr, M. Ramin, A. Michailovski, G.R. Patzke, A. Baiker, “High Pressure in situ X-ray Absorption Spectroscopy Cell for Studying Simultaneously the Liquid Phase and the Solid/liquid Interface”, Rev. Sci. Instr. 76, 054104 (2005).

        W.J. Stark, J.-D. Grunwaldt, M. Maciejewski, S.E. Pratsinis, A. Baiker, „Improved Thermal Stability of Flame-made Pt/ceria/zirconia for Low-temperature Oxygen Exchange”, Chem. Mat. 17, 3352 (2005).

        M. Ramin, J.-D.Grunwaldt, A. Baiker, “Behavior of Homogeneous and Immobilized Zinc-based Catalysts in Cycloaddition of CO2 to Propylene Oxide”, J. Catal. 234, 256 (2005).

        A. Michailovski, J.-D. Grunwaldt, A. Baiker, R. Kiebach, W. Bensch, G. R. Patzke, "Solvothermal Formation of MoO3 Fibers Studied by Complementary in situ-EXAFS/EDXRD Techniques", Angew. Chem. Int. Ed.  44 , 5643 (2005).

        M. Ramin, J.-D. Grunwaldt, A. Baiker, ”Solventless Synthesis of Propylene Carbonate Catalysed by Chromium Salen Complexes: Bridging Homogeneous and Heterogeneous catalysis”, J. Mol. Catal. A 242, 32 (2005).

        M. Burgener, D. Ferri, J.-D. Grunwaldt, T. Mallat, A. Baiker, „Supercritical Carbon Dioxide – An Inert Solvent for Catalytic Hydrogenation?”, J. Phys. Chem. B 109, 16794 (2005).

        R. Strobel, J.-D. Grunwaldt, A. Camenzind, S.E. Pratsinis, A. Baiker, “Flame-made Alumina-supported Pt-Pd particles and their Behaviour in Catalytic Methane Combustion”, Catal. Lett. 104, 9 (2005).

        Z. Opre, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Selective Oxidation of Alcohols with Oxygen on Ru-Co-Hydroxyapatite: A Mechanistic Study”, J. Mol. Catal. A 242, 224 (2005).

        M. Rohr, M. Günther, F. Jutz, J.-D. Grunwaldt, H. Emerich, W. van Beek, A. Baiker, “Evaluation of Strategies for the Immobilization of Bidentate Ruthenium Phosphine Complexes Used for the Reductive Amination of Carbon Dioxide”, Appl. Catal. A 296, 238 (2005).

        S. Vukojević, O. Trapp, J.-D. Grunwaldt, C. Kiener, F. Schüth, “Quasi-homogenous Methanol Synthesis over Highly Active Copper Nanoparticles”, Angew. Chem. 44, 7978 (2005).

         

        2004

        C. Keresszegi, J.-D. Grunwaldt, T. Mallat, A. Baiker, „In situ EXAFS Study on the Oxidation State of Pd/Al2O3 and Bi-Pd/Al2O3 during the Liquid Phase Oxidation of 1-Phenylethanol”, J. Catal. 222, 268 (2004).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Selective Oxidation of Benzyl Alcohol to Benzaldehyde in “Supercritical” Carbon Dioxide”, Catal. Today 91-92, 1 (2004).

        G.R. Patzke, A. Michailovski, F. Krumeich, R. Nesper, J.-D. Grunwaldt, A. Baiker, „A Novel, One-step Synthesis of Tailor-made Fibrous MoO3“, Chem. Mat. 16, 1126 (2004).

        E. Tegeler, A. Hagen, J.-D. Grunwaldt, F. Roessner, „An Alternative Method for Ion Exchanged Catalysts: Solid State Reaction“, Proceedings of the 14th International Zeolite Conference (Eds. E. van Steen et al., ISBN 0-958-46636), 2192 (2004).

        M.S. Schneider, J.-D. Grunwaldt, A. Baiker, „Near-critical CO2 in Mesoporous Silica Studied by In Situ FTIR Spectroscopy”, Langmuir 20, 2890 (2004).

        M.S. Schneider, A. Urakawa, J.-D. Grunwaldt, T. Bürgi, A. Baiker, “Identification of Catalyst Surface Species during Platinum-catalyzed Asymmetric Hydrogenation in a Supercritical Solvent“, Chem. Comm., 744 (2004).

        J.-D. Grunwaldt, M. Caravati, S. Hannemann, A.Baiker, „In situ X-ray Absorption Spectroscopy under Reaction Conditions: Suitability of Different Reaction Cells for Combined Catalyst Characterization and Time-resolved Studies“, Phys. Chem. Chem. Phys. 6, 3037 (2004).

        C. Keresszegi, T. Mallat, J.-D. Grunwaldt, A. Baiker, “A Simple Discrimination of the Promoter Effect in Alcohol  Oxidation and Dehydrogenation over  Platinum and Palladium”, J. Catal. 225, 138 (2004).

        N. Lopez J.K. Nørskov, T.V.W. Janssens, A. Carlsson, A. Puig-Molina, B.S. Clausen, J.-D. Grunwaldt, "The Adhesion and Shape of Nanosized Au particles in a Au/TiO2 catalyst", J. Catal. 225, 86 (2004).

         

        2003

        J.-D. Grunwaldt, R. Wandeler, A. Baiker, „Supercritical Fluids in Catalysis: Opportunities of in situ Spectroscopic Studies and Monitoring Phase Behaviour”, Catal. Rev. Sci. Eng. 45, 1 (2003).

        J.-D. Grunwaldt, C. Keresszegi, T. Mallat, and A. Baiker, “In situ EXAFS Study of Pd/Al2O3 during Aerobic Oxidation of Cinnamyl Alcohol in an Organic Solvent”, J. Catal. 213, 191 (2003).

        C. Kiener, M. Kurtz, H. Wilmer, C. Hoffmann, H.-W. Schmidt, J.-D. Grunwaldt, M. Muhler, F. Schüth, „High Throughput Screening under Demanding Conditions: Cu/ZnO Catalysts in High Pressure Methanol Synthesis as an Example”, J. Catal. 216, 110 (2003).

        J.-D. Grunwaldt, M. Maciejewski, A. Baiker, „In situ X-ray Absorption Spectroscopy Study During Methane Combustion over Pd/ZrO2 Catalysts“, Phys. Chem. Chem. Phys. 5, 1481 (2003).

        C.G. Schroer, M. Kuhlmann, T.F. Günzler, B. Lengeler, M. Richwin, B. Griesebock, D. Lützenkirchen-Hecht, R. Frahm, E. Ziegler, A. Mashayekhi, D.R. Haeffner, J.-D. Grunwaldt, A. Baiker, „Mapping the Chemical States of an Element Inside a Sample Using Tomographic X-ray Absorption Spectroscopy, Appl. Phys. Lett. 82, 3360 (2003).

        C. Keresszegi, J.-D. Grunwaldt, T. Mallat, A. Baiker, „Liquid Phase Oxidation of Alcohols with Oxygen: In situ Monitoring of the Oxidation State of Bi-Promoted Pd/Al2O3” Chem. Comm., 2304 (2003).

        M.S. Schneider, J.-D. Grunwaldt, T. Bürgi, A. Baiker, „High Pressure View-Cell for Simultaneous in situ Infrared Spectroscopy and Phase Behaviour Monitoring of Multiphase Chemical Reactions”, Rev. Sci. Instr. 74, 4121 (2003).

        J.-D. Grunwaldt, M. Caravati, M. Ramin, A. Baiker, “Probing Active Sites During Palladium-Catalysed Alcohol Oxidation in “Supercritical” Carbon Dioxide, Catal. Lett. 90, 221 (2003).

         

        2002

        J.-D. Grunwaldt, B.S. Clausen, “Combining XRD and EXAFS with On-line Catalytic Studies for in situ Characterization of Catalysts”, Topics in Catalysis 18, 37 (2002).

        J.-D. Grunwaldt, H. Teunissen, „Process for the catalytic oxidation of carbon monoxide and/or methanol”, Haldor Topsoe A/S, Eur. Pat. No. EP1209121, 2002; also published as Japanese patent No. JP2002220205, 2002, US Pat. No. US6692713, 2002.

        J.-D. Grunwaldt, P. Kappen, L. Basini, B.S. Clausen “Iridium Clusters for Catalytic Partial Oxidation of Methane – An in situ Transmission and Fluorescence XAFS Study”, Catal. Lett. 78, 13 (2002).

        P. Kappen, L. Tröger, H. Zink, G. Materlik, C. Reckleben, K. Hansen, J.-D. Grunwaldt, B.S. Clausen, “Silicon Drift Detectors as a Tool for Time Dependent Fluorescence XAFS Studies on Low Concentrated Catalysts”, J. Synchr. Rad. 9, 246 (2002).

        J.-D. Grunwaldt, C. Beck, W. Stark, A. Hagen, A. Baiker, “In situ XANES Study on TiO2-SiO2 Aerogels and Flame Made Materials”, Phys. Chem. Chem. Phys. 4, 3514 (2002).

         

        2001

        J.-D. Grunwaldt, P. Kappen, B.S. Hammershøi, L. Tröger, B.S. Clausen, “Fluorescence EXAFS for the in situ Study on the State of Promoters in Catalysis”, J. Synchr. Rad. 8, 572 (2001).

        J.-D. Grunwaldt, L. Basini, B.S. Clausen, “In situ EXAFS Study on Rh/Al2O3 Catalysts for Catalytic Partial Oxidation of Methane”, J. Catal. 200, 321 (2001).

        P. Kappen, J.-D. Grunwaldt, B.S. Hammershøi, L. Tröger, G. Materlik, B.S. Clausen, “In situ Fluorescence XAFS Study on the State of the Cu Promoter Atoms in High Temperature Shift Catalysts”, J. Catal. 198, 56 (2001).

        J.-D. Grunwaldt, D. Lützkirchen-Hecht, M. Richwin, S. Grundmann, B.S. Clausen, R. Frahm, “The Study of Transformations of Solids in the Millisecond Range – A Piezo XAFS study”, J. Phys. Chem. 105, 5161 (2001).

        M. Maciejewski, P. Fabrizioli, J.-D. Grunwaldt, O.S. Becker, A. Baiker, “Supported Gold Catalysts for CO Oxidation: Effect of Calcination on Structure, Adsorption and Catalytic Behaviour”, Phys. Chem. Chem. Phys. 3, 3817 (2001).

        H.T. Teunissen, J.-D. Grunwaldt, B.T. Jespersen, A. Leerskov, G. Mogensen, J. Perregaard, G. Vorbeck, J. Nerlov, „Preparation, Activation and Catalytic Performance of New, Highly Active VPO Catalysts for the Selective Oxidation of Butane“, Proceedings of the 4th World Congress on Oxidation Catalysis, p. 101 – 106 (2001).

         

        2000 and earlier

        J.-D. Grunwaldt, A.M. Molenbroek, N.-Y. Topsøe, H. Topsøe, B.S. Clausen, “In Situ Investigations of Structural Changes in Cu/ZnO Catalysts”, J. Catal. 194, 452 (2000).

        M.D. Wildberger, M. Maciejewski, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Sol-gel Bismuth-Molybdenum-Titanium Mixed Oxides II - Oxidation of Butadiene to Furan”, Appl. Catal. A: General, 179(1-2), 189 (1999).

        J.-D. Grunwaldt, C. Kiener, C. Wögerbauer, A. Baiker, “Preparation of Supported Catalysts for Low Temperature CO Oxidation via “Size-Controlled” Gold Colloids”, J. Catal. 181(2), 223 (1999).

        J.-D. Grunwaldt, A. Baiker, “Gold/Titania Interfaces and Their Role in Carbon Monoxide Oxidation”, J. Phys. Chem. B – Condensed Phase 103(6), 1002 (1999).

        J.-D. Grunwaldt, M. Maciejewskij, O.S. Becker, P. Fabrizioli, A. Baiker, “Comparative Study of Au/TiO2 and Au/ZrO2 Catalysts for Low-Temperature CO Oxidation”, J. Catal. 186 (2), 458 (1999).

        J.-D. Grunwaldt, M.D. Wildberger, T. Mallat, A. Baiker, “Unusual Redox Properties of Bismuth in Sol-Gel Bi-Mo-Ti Mixed Oxides”, J. Catal. 177, 53-59 (1998).

        J.-D. Grunwaldt. O. Becker, A. Baiker, “Investigation of Small Size-controlled Gold Particles for Low Temperature CO Oxidation by Electron Microscopy”, ICEM Proceedings, 14, Vol. II, 431-432 (1998).

        S.M. Auer, J.-D. Grunwaldt, A. Baiker, “Reduction of 4-Nitrotoluene over Fe-Mg-Al LDHs”, J. Mol. Catal. A Chemical, 139 (2), 305-314 (1998).

        M.D. Wildberger, J.-D. Grunwaldt, M. Maciejewski, T. Mallat, A. Baiker, “Sol-gel Bismuth-Molybdenum-Titanium Mixed Oxides I, Preparation and Structural Properties”, Appl. Catal. A, 175(1-2), 11 (1998).

        M.D. Wildberger, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Comparison of the Redox Properties of Sol-gel and Conventionally Prepared Bi-Mo-Ti Mixed Oxides“, DGMK Tagungsbericht 9803, Proceedings of the DGMK Conference “Selective Oxidations in Petrochemistry”, eds. G. Emig, C. Kohlpainter, B. Lücke, p. 103 (1998).

        A. Baiker, J.-D. Grunwaldt, C.A. Müller, L. Schmid, “Catalytic Materials by Design”, Chimia 52 (10), 517 (1998).

        J.-D. Grunwaldt, U. Göbel, A.Baiker, “Preparation and Characterization of Thin TiO2 Films on Gold/mica”, Fres. J. Analyt. Chem. 358 (1-2), 96-100 (1997).

        C. Robson, M. A. Meek, J.-D. Grunwaldt, P.A. Lambert, S.F. Queener, D. Schmidt, R.J. Griffin, “Nonclassical 2,4-Diamino-5-aryl-6-ethylpyrimidine Antifolates”, J. Med. Chem. 40, 3040-3048 (1997).

        J.-D. Grunwaldt, F. Atamny, U. Göbel, A. Baiker, “Preparation of Thin Silver Films on Mica Studied by XRD and AFM”, Appl. Surf. Sci. 99, 353 (1996).

        J.-D. Grunwaldt, “First Reactive Species in Methanol Oxidation Atomically Resolved: Is this the Start of a New Era of Heterogeneous Catalysts?”, Chimia 50, 450 (1996).

        J-D. Grunwaldt, W. Gunßer, T. Danger, K. Petermann, A. Reller, “Determination of a New Titanium Site in Ti:YAlO3”, J. Phys. Chem. Solids 55 (8), 699 (1994).

        Further Selected General Articles and Highlights

        • J.-D. Grunwaldt, C. Kiener, J. Zipfel, “Internationale Chemie-Olympiade”, (International Chemistry Olympiad), Chemie i.d. Schule 38 (6), 279-282 (1995).
        • J.-D. Grunwaldt, W. Hampe, “Chemie-Olympiade in Moskau” (Chemistry Olympiad in Moscow), Chemie i.d. Schule 43 (12), 378-380 (1996).
        • J.-D. Grunwaldt, “Jungchemiker feiern”, (Young Chemists celebrate), Nachr. Chem. Tech. Lab. 45 (3), 268 (1997).
        • J.-D. Grunwaldt, “5 Jahre Förderverein Chemie-Olympiade - Es war einmal, wie fing es vor fünf Jahren an?” (5 Years Association for the Promotion of the Chemistry Olympiad - how did it begin?), Fasz. Chem. 3 (1), 5-6 (1997).
        • J.-D. Grunwaldt, K. Exner, C. Kiener, J. Zipfel, ”Die Chemie-Olympiade - eine Möglichkeit der Förderung von Jugendlichen in der Chemie” (The Chemistry Olympiad - one possibility for the promotion of Young Chemists), Unterr. Chem. 42 (8), 292-293 (1997).
        • J.-D. Grunwaldt, S. Hannemann, W. Bünder, “Lösungsstrategien und Übungsmöglichkeiten bei Chemie-Olympiade Aufgaben” (Solution strategies and handling Chemistry Olympiad problems), in Naturwissenschaft und Technik: Didaktik im Gespräch, Hrsg. H. Wambach, Bd. 27, LIT Verlag, Münster, 176-203 (1997).
        • J.-D. Grunwaldt, “Chemie-Olympiade – mehr als “nur” ein Auswahlwettbewerb: ein Überblick über Förderaktivitäten” (Chemistry Olympiad – more than “only” selection: an overview on the promotion program), in Naturwissenschaft und Technik: Didaktik im Gespräch, Hrsg. H. Wambach, LIT Verlag, Bd. 27, Münster 143-155 (1997).
        • J.-D. Grunwaldt, “In situ spectroscopy in heterogeneous catalysis”, article for pupils and students, Faszination Chemie 9, 16-22 (2003).
        • J.-D. Grunwaldt, M. Ramin, M. Caravati, A. Baiker, „Grüne Chemie: Kohlendioxid – umweltfreundliches Lösungsmittel und Synthesebaustein“ (Green Chemistry: Carbon dioxide as environmentally benign solvent and synthesis block), ETH Bulletin, 293, 85 (2004).
        • J.-D. Grunwaldt, M. Caravati, M. Ramin, A. Baiker, „Probing active sites during palladium-catalysed alcohol oxidation in „supercritical“ carbon dioxide“, HASYLAB Highlight Research Report and Annual Report 2004, p. 19 - 24 (2005); scientific report of DESY 2004, p. 130 – 134 (2005).
        • M. Denecke, R. Frahm, M. Fröba, J.-D. Grunwaldt, D. Lützenkirchen-Hecht, J. Röhler and E. Welter, „Absorption Spectroscopy [Beamline at PETRA III]“, in PETRA III Technical Design Report (Eds.: K. Balewski, W. Brefeld, W. Decking, H. Franz, R. Röhlsberger, E. Weckert), Deutsches Elektronen-Synchrotron, Hamburg, Germany, 2004, p. 334.
        • J.-D. Grunwaldt, S. Hannemann, M. Ramin, M. Rohr, A. Baiker, ”Ex situ and in situ characterization of heterogeneous catalysts”, Activity Report 03/04, Swiss Norwegian Beamlines at ESRF, p. 17-20 (2005).
        • J.-D. Grunwaldt, S. Hannemann, C.G. Schroer, A. Baiker, “2D-Mapping of the Catalyst Structure inside a Catalytic Microreactor at Work:  Partial Oxidation of Methane over Rh/Al2O3“, HASYLAB Highlight Research Report 2006, vol. 1, p. 37 – 41 (2006).
        • J.-D. Grunwaldt, ”Das technologische Potenzial von Reaktionen in überkritischem Kohlendioxid und deren Verständnis mittels in situ Spektroskopie (The technological potential of reactions in supercritical carbon dioxide and their understanding by means of in situ spectroscopy”, Infobrief Katalyse 11 / September 2006 (Journal of the DECHEMA subsection in catalysis), p. 4 – 7 (2006).
        • J.-D. Grunwaldt, N. van Vegten, A. Baiker, "Combination of in situ EXAFS and XRD with on-line gas analysis during the total oxidation of methane over palladium based catalysts", Highlight in the Activity Report 05/06 of the Swiss-Norwegian-Beamlines, pp. 24 - 26 (2007).
        • J.-D. Grunwaldt, B. Kimmerle, P. Glatzel, P. Boye, C.G. Schroer, "Filming a catalyst in action", Spotlight on Science, published on-line on the ESRF Homepage, Grenoble, France, June 2007 (www.esrf.eu/news/spotlight/spotlight46/spotlight46/).
        • S. Hannemann, J.-D. Grunwaldt, A. Baiker, C.G. Schroer, ”Zweidimensionale Röntgen-Absorptions-Spektroskopie (2D-XAS)” [2-dimensional X-ray absorption spectroscopy (2D-XAS)], Fasz. Chem. 13, 12 - 15 (2008).
        • B. Kimmerle, J.-D. Grunwaldt, A. Baiker, P. Glatzel, P. Boye, S. Stephan, C.G. Schroer, “Visualising the ignition of catalytic partial oxidation of methane”, ESRF Highlights 2008, ed. G. Adams, p. 16 – 18, ESRF, Grenoble, February 2009.
        • J.-D. Grunwaldt, A.I. Frenkel, “Synchrotron Studies of Catalysts: From XAFS to QEXAFS and Beyond”, Editor for two special issues of Synchrotron Radiation News, 22(1, 2), p. 2 (2009).
        • T. Bürgi, J.-D. Grunwaldt, M. Maciejewski, T. Mallat, „Preface to the Alfons Baiker Festschrift“, J. Phys. Chem. C 115, 814 (2011)
        • M. Hübner, D. Koziej, M. Bauer, N. Barsan, K. Kvashninad, M.D. Rossell, U. Weimar, J.-D. Grunwaldt, “Role of platinum in tin oxide based gas sensors: a study under working conditions”, ESRF Highlights 2011, ed. G. Adams, p. 17 – 18, ESRF, Grenoble, February 2012.
        • J.M. Christensen, P.V. Hendriksen, J.-D. Grunwaldt, A.D. Jensen „Chemical Energy Storage“, in: DTU International Energy Report 2013, eds. H. Hvidtfeld Larsen and L. Sønderberg Petersen, November 2013, ISBN: 978-87-550-3968-1