Publikationen 2024

Tuning Flame Spray Pyrolysis for Variation of the Crystallite Size in Cu/ZnO/ZrO2 and its Influence on the Performance in CO2‐to‐Methanol Synthesis
Schulte, M. L.; Sender, V. C.; Baumgarten, L.; Beck, A.; Nilayam, A. R. L.; Saraçi, E.; Grunwaldt, J.-D.
2024. European Journal of Inorganic Chemistry, e202400684. doi:10.1002/ejic.202400684

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, 4 (12). 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, 16 (22), 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, 17 (24), 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, 63 (35), 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), e202301228. 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

Publikationen 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

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

Publikationen 2022

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

Publikationen 2021

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

Publications 2019

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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 NO_x-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 CO₂under 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 16^th 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" 1, 1322 (2016)

Publikationen 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).

Publikationen 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).

| Article HTML | Article PDF
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).

| 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).

| Article HTML | Article PDF
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 NO_x
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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Publikationen 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).

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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).

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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).

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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).

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