Publications

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). Following the Structural Changes of Iron Oxides during Reduction under Transient Conditions. ChemSusChem, 17 (24), Art.-Nr.: e202401045. doi:10.1002/cssc.202401045

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). Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications, 15 (1), Art.-Nr.: 871. doi:10.1038/s41467-023-44661-6

Eldridge, T. J.; Borchers, M.; Lott, P.; Grunwaldt, J.-D.; Doronkin, D. E. (2024). Elucidating the Role of the State of Pd in the H-SCR of NO by Operando XANES and DRIFTS. Catalysis Science & Technology. doi:10.1039/D4CY00574K

Hinge, V. K.; Bairagi, M.; Yadav, N.; Joshi, S. K.; Shrivastava, B. D.; Jha, S. N.; Bhattacharya, D.; Gaur, A. (2024). Investigating local coordination and electronic nature of Cu centers in the copper complexes having aspartic and glutamic acids. X-Ray Spectrometry, 53 (1), 60–68. doi:10.1002/xrs.3369

Klag, L.; Baumgarten, L.; Gaur, A.; Sheppard, T. L.; Grunwaldt, J.-D. (2024). Comparison of Structure and Reactivity of Hydrothermally Prepared Bi‐Mo‐Co‐Fe‐O Catalysts in Selective Propylene and Isobutene Oxidation. ChemCatChem, Art.-Nr.: e202301470. doi:10.1002/cctc.202301470

Marchuk, V.; Sharapa, D. I.; Grunwaldt, J.-D.; Doronkin, D. E. (2024). Surface States Governing the Activity and Selectivity of Pt-Based Ammonia Slip Catalysts for Selective Ammonia Oxidation. ACS Catalysis, 14 (2), 1107–1120. doi:10.1021/acscatal.3c05019

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). Surface ZnO on zirconia is highly active for high temperature methanol synthesis. Journal of Catalysis, 431, Art.-Nr.: 115389. doi:10.1016/j.jcat.2024.115389

Paripsa, S.; Gaur, A.; Förste, F.; Doronkin, D. E.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Welter, E.; Grunwaldt, J.-D.; Lützenkirchen-Hecht, D. (2024). RefXAS: an open access database of X-ray absorption spectra. Journal of Synchrotron Radiation, 31 (5), 1105–1117. doi:10.1107/S1600577524006751

Sarma, B. B.; Neukum, D.; Doronkin, D. E.; Lakshmi Nilayam, A. R.; Baumgarten, L.; Krause, B.; Grunwaldt, J.-D. (2024). Understanding the role of supported Rh atoms and clusters during hydroformylation and CO hydrogenation reactions with in situ / operando XAS and DRIFT spectroscopy. Chemical Science, 15 (31), 12369–12379. doi:10.1039/D4SC02907K

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). Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene. Catalysis Science & Technology, 14 (7), 1775–1790. doi:10.1039/D3CY01336G

Tusini, E.; Casapu, M.; Zimina, A.; Doronkin, D. E.; Störmer, H.; Barthe, L.; Belin, S.; Grunwaldt, J.-D. (2024). Structural Changes of Ni and Ni–Pt Methane Steam Reforming Catalysts During Activation, Reaction, and Deactivation Under Dynamic Reaction Conditions. ACS Catalysis, 7463–7477. doi:10.1021/acscatal.3c05847

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). The enhancing effect of Co on propane non-oxidative dehydrogenation over supported Co/ZrO catalysts. Journal of Catalysis, 432, Art.-Nr.: 115440. doi:10.1016/j.jcat.2024.115440

Zhao, D.; Kondratenko, V. A.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Kondratenko, E. V. (2024). Effect of supports on the kind of in-situ formed ZnOₓ species and its consequence for non-oxidative propane dehydrogenation. Catalysis Today, 428, 114444. doi:10.1016/j.cattod.2023.114444

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). Methyl radical chemistry in non-oxidative methane activation over metal single sites. Nature Communications, 14, Article no: 5716. doi:10.1038/s41467-023-41192-y

Klag, L.; Gaur, A.; Stehle, M.; Weber, S.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). Role of Iron and Cobalt in 4-Component Bi–Mo–Co–Fe–O Catalysts for Selective Isobutene Oxidation Using Complementary Operando Techniques. ACS Catalysis, 13, 14241–14256. doi:10.1021/acscatal.3c03433

Marchuk, V.; Huang, X.; Grunwaldt, J.-D.; Doronkin, D. E. (2023). Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catalysis Science & Technology. doi:10.1039/D2CY02095E

Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Bernart, S.; Studt, F.; Grunwaldt, J.-D. (2023). Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”. The Journal of Physical Chemistry C, 127 (23), Art.-Nr.: 11419. doi:10.1021/acs.jpcc.3c03075

Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Studt, F.; Grunwaldt, J.-D. (2023). Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT. The Journal of Physical Chemistry C, 127 (6), 3032–3046. doi:10.1021/acs.jpcc.2c07263

Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D. (2023). Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495

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). Solventless hydrodeoxygenation of isoeugenol and dihydroeugenol in the batch and continuous modes over zeolite-supported FeNi catalyst. Sustainable Energy & Fuels, 7, 4486–4504. doi:10.1039/D3SE00371J

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). Interactions between Iron and Nickel in Fe–Ni Nanoparticles on Y Zeolite for Co-Processing of Fossil Feedstock with Lignin-Derived Isoeugenol. ACS Applied Nano Materials, 6 (12), 10064–10077. doi:10.1021/acsanm.3c00620

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). Co-processing of fossil feedstock with lignin-derived model compound isoeugenol over Fe-Ni/H-Y-5.1 catalysts. Journal of Catalysis, 421, 101–116. doi:10.1016/j.jcat.2023.03.016

Zhang, R.; Cao, Y.; Doronkin, D. E.; Ma, M.; Dong, F.; Zhou, Y. (2023). 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. Chemical Engineering Journal, 454 (Part 1), Art.-Nr.: 140084. doi:10.1016/j.cej.2022.140084

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). Effect of Diffusion Constraints and ZnOx Speciation on Nonoxidative Dehydrogenation of Propane and Isobutane over ZnO-Containing Catalysts. ACS Catalysis, 13, 3356–3369. doi:10.1021/acscatal.2c05704

Gaur, A.; Paripsa, S.; Förste, F.; Doronkin, D.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Lützenkirchen-Hecht, D.; Welter, E.; Grunwaldt, J.-D. (2023). Metadata Fields and Quality Criteria - XAS Reference Database under DAPHNE4NFDI. Proceedings of the Conference on Research Data Infrastructure, 4 S., Technische Informationsbibliothek Open Publishing (TIB Open Publishing). doi:10.52825/CoRDI.v1i.258

Behrendt, G.; Prinz, N.; Wolf, A.; Baumgarten, L.; Gaur, A.; Grunwaldt, J.-D.; Zobel, M.; Behrens, M.; Mangelsen, S. (2022). Substitution of Copper by Magnesium in Malachite: Insights into the Synthesis and Structural Effects. Inorganic Chemistry, 61 (49), 19678–19694. doi:10.1021/acs.inorgchem.2c01976

Gaur, A.; Stehle, M.; Serrer, M.-A.; Stummann, M. Z.; La Fontaine, C.; Briois, V.; Grunwaldt, J.-D.; Høj, M. (2022). 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. ACS catalysis, 12 (1), 633–647. doi:10.1021/acscatal.1c04767

Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y. (2022). Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695

Marchuk, V.; Huang, X.; Murzin, V.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Operando QEXAFS Study of Pt–Fe Ammonia Slip Catalysts During Realistic Driving Cycles. Topics in Catalysis, 66 (13-14), 825–838. doi:10.1007/s11244-022-01718-y

Qin, S.; Denisov, N.; Sarma, B. B.; Hwang, I.; Doronkin, D. E.; Tomanec, O.; Kment, S.; Schmuki, P. (2022). Pt Single Atoms on TiO 2 Polymorphs—Minimum Loading with a Maximized Photocatalytic Efficiency. Advanced Materials Interfaces, 9 (22), Art.-Nr.: 2200808. doi:10.1002/admi.202200808

Sarmah, N.; Sharma, D.; Mehta, B. K.; Shrivastava, B. D.; Das, B. K.; Zimina, A.; Gaur, A. (2022). Probing the electronic nature of Co centers forming the planar ring in octa-nuclear Co complexes using X-ray absorption spectroscopy. Journal of Molecular Structure, 1263, Art.-Nr.: 133125. doi:10.1016/j.molstruc.2022.133125

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). 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. The Journal of Physical Chemistry C, 126 (49), 20998–21009. doi:10.1021/acs.jpcc.2c04736

Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D. (2022). Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts. Journal of catalysis, 408, 339–355. doi:10.1016/j.jcat.2021.08.053

Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499A

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). Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling. Journal of catalysis, 408, 372–387. doi:10.1016/j.jcat.2021.08.029

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). Identifying Performance Descriptors in CO2 Hydrogenation over Iron‐based Catalysts Promoted with Alkali Metals. Angewandte Chemie International Edition, 61 (22), Art.Nr. e202116517. doi:10.1002/anie.202116517

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). Controlling Reaction-Induced Loss of Active Sites in ZnOₓ/Silicalite-1 for Durable Nonoxidative Propane Dehydrogenation. ACS Catalysis, 12 (8), 4608–4617. doi:10.1021/acscatal.1c05778

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). Tracking dynamic structural changes in catalysis by rapid 2D-XANES microscopy. Journal of synchrotron radiation, 28 (5). doi:10.1107/S1600577521007074

Becher, J.; Sanchez, D. F.; Doronkin, D. E.; Zengel, D.; Meira, D. M.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Chemical gradients in automotive Cu-SSZ-13 catalysts for NO removal revealed by operando X-ray spectrotomography. Nature catalysis, 4, 46–53. doi:10.1038/s41929-020-00552-3

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). Sample Environment for Operando Hard X-ray Tomography—An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis. Catalysts, 11 (4), Art.-Nr.: 459. doi:10.3390/catal11040459

Boronin, A. I.; Slavinskaya, E.; Kibis, L.; Stonkus, O.; Svintsitskiy, D.; Stadnichenko, A.; Fedorova, E.; Romanenko, A.; Marchuk, V.; Doronkin, D. (2021). The effects of platinum dispersion and Pt state on catalytic properties of Pt/Al2O3 in NH3 oxidation. ChemCatChem, 13 (1), 313–327. doi:10.1002/cctc.202001320

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). Modulating electron density of vacancy site by single Au atom for effective CO photoreduction. Nature Communications, 12 (1), Art.-Nr.: 1675. doi:10.1038/s41467-021-21925-7

Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Rabsch, G.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Continuous-flow reactor setup for X-ray absorption spectroscopy of high pressure heterogeneous liquid–solid catalytic processes. Review of scientific instruments, 92 (12), Article no: 124101. doi:10.1063/5.0057011

Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Effect of Selectivity Enhancers on the Structure of Palladium during High-Pressure Continuous-Flow Direct Synthesis of Hydrogen Peroxide in Ethanol. The journal of physical chemistry <Washington, DC> / C, 125 (6), 3451–3462. doi:10.1021/acs.jpcc.0c11246

Doronkin, D. E.; Casapu, M. (2021). Present Challenges in Catalytic Emission Control for Internal Combustion Engines. Catalysts, 11 (9), Art.-Nr. 1019. doi:10.3390/catal11091019

Eggart, D.; Zimina, A.; Cavusoglu, G.; Casapu, M.; Doronkin, D. E.; Lomachenko, K. A.; Grunwaldt, J.-D. (2021). Versatile and high temperature spectroscopic cell for operando fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts. Review of scientific instruments, 92 (2), Art.-Nr. 023106. doi:10.1063/5.0038428

Gaur, A.; Sharma, D.; Nitin Nair, N.; Mehta, B. K.; Shrivastava, B. D.; Gogoi, M.; Sarmah, N.; Das, B. K. (2021). Investigating cubane formation and effect of co-crystallization agents in oxo-bridged Co complexes using X-ray absorption spectroscopy. Journal of molecular structure, 1244, Art.-Nr.: 130869. doi:10.1016/j.molstruc.2021.130869

Kibis, L. S.; Svintsitskiy, D.; Stadnichenko, A. I.; Slavinskaya, E. M.; Romanenko, A.; Fedorova, E. A.; Stonkus, O. A.; Svetlichnyi, V.; Fakhrutdinova, E. D.; Vorokhta, M.; Šmíd, B.; Doronkin, D. E.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A. I. (2021). In situ probing of Pt/TiO activity in low-temperature ammonia oxidation. Catalysis science & technology, 11 (1), 250–263. doi:10.1039/d0cy01533d

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). Chemical imaging of mixed metal oxide catalysts for propylene oxidation: from model binary systems to complex multicomponent systems. ChemCatChem, 13 (10), 2483–2493. doi:10.1002/cctc.202100054

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). In situ formation of ZnOₓ species for efficient propane dehydrogenation. Nature <London>, 599, 234–238. doi:10.1038/s41586-021-03923-3

Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D. (2020). Applications of Hard X-ray Spectroscopy in Energy-Related and Environmental Catalysis. Synchrotron radiation news, 33 (5), 11–17. doi:10.1080/08940886.2020.1812353

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). Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct HO synthesis. Catalysis science & technology, 10 (14), 4726–4742. doi:10.1039/D0CY00553C

Frei, E.; Gaur, A.; Lichtenberg, H.; Zwiener, L.; Scherzer, M.; Girgsdies, F.; Lunkenbein, T.; Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts. ChemCatChem, 12 (16), 4029–4033. doi:10.1002/cctc.202000777

Gaur, A.; Stehle, M.; Raun, K. V.; Thrane, J.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M. (2020). Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD. Physical chemistry, chemical physics, 22 (20), 11713–11723. doi:10.1039/D0CP01506G

Han, S.; Zhao, D.; Lund, H.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Gao, M.; Jiang, G.; Kondratenko, E. V. (2020). TiO-supported catalysts with ZnO and ZrO for non-oxidative dehydrogenation of propane: mechanistic analysis and application potentia. Catalysis science & technology, 10 (20), 7046–7055. doi:10.1039/D0CY01416H

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). Elucidating the Nature of Active Sites and Fundamentals for their Creation in Zn-Containing ZrO2-Based Catalysts for Non-Oxidative Propane Dehydrogenation. ACS catalysis, 10 (15), 8933–8949. doi:10.1021/acscatal.0c01580

Loewert, M.; Serrer, M.-A.; Carambia, T.; Stehle, M.; Zimina, A.; Kalz, K.; Lichtenberg, H.; Saraci, E.; Pfeifer, P.; Grunwaldt, J.-D. (2020). Bridging the gap between industry and synchrotron: Operando study at 30 bar over 300 h during Fischer-Tropsch synthesis. Reaction chemistry & engineering, 5 (6), 1071–1082. doi:10.1039/C9RE00493A

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). Understanding Sulfur Poisoning of Bimetallic Pd-Pt Methane Oxidation Catalysts and their Regeneration. Applied catalysis / B, 278, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244

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). Reduction and carburization of iron oxides for Fischer-Tropsch synthesis. Journal of Energy Chemistry, 51, 48–61. doi:10.1016/j.jechem.2020.03.026

Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Saraci, E.; Barcikowski, S.; Grunwaldt, J.-D. (2020). Selective aerobic oxidation of 5‐(hydroxymethyl)furfural over heterogeneous silver‐gold nanoparticle catalysts. Advanced synthesis & catalysis, 362 (24), 5681–5696. doi:10.1002/adsc.202001003

Schade, O. R.; Gaur, A.; Zimina, A.; Saraci, E.; Grunwaldt, J.-D. (2020). Mechanistic Insights into the Selective Oxidation of 5-(Hydroxymethyl)furfural over Silver-based Catalysts. Catalysis science & technology, 10 (15), 5036–5047. doi:10.1039/D0CY00878H

Serrer, M.-A.; Gaur, A.; Jelic, J.; Weber, S.; Fritsch, C.; Clark, A. H.; Saraçi, E.; Studt, F.; Grunwaldt, J.-D. (2020). Structural dynamics in Ni–Fe catalysts during CO₂ methanation - role of iron oxide clusters. Catalysis science & technology, 10 (22), 7542–7554. doi:10.1039/D0CY01396J

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). Influence of Titania Synthesized by Pulsed Laser Ablation on the State of Platinum during Ammonia Oxidation. Applied Sciences, 10 (14), Art. Nr.: 4699. doi:10.3390/app10144699

Wang, S.; Doronkin, D. E.; Hähsler, M.; Huang, X.; Wang, D.; Grunwaldt, J.-D.; Behrens, S. (2020). Palladium-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of Hydrogen Peroxide. ChemSusChem, 13 (12), 3243–3251. doi:10.1002/cssc.202000407

Wang, S.; Lewis, R. J.; Doronkin, D. E.; Morgan, D. J.; Grunwaldt, J.-D.; Hutchings, G. J.; Behrens, S. (2020). The direct synthesis of hydrogen peroxide from H₂ and O₂ using Pd–Ga and Pd–In catalysts. Catalysis science & technology, 10 (6), 1925–1932. doi:10.1039/C9CY02210D

Zhao, Z.; Doronkin, D. E.; Ye, Y.; Grunwaldt, J.-D.; Huang, Z.; Zhou, Y. (2020). Visible light-enhanced photothermal CO2 hydrogenation over Pt/Al2O3 catalyst. Chinese journal of catalysis, 41 (2), 286–293. doi:10.1016/S1872-2067(19)63445-5

Dan, M.; Wei, S.; Doronkin, D. E.; Li, Y.; Zhao, Z.; Yu, S.; Grunwaldt, J.-D.; Lin, Y.; Zhou, Y. (2019). Novel MnS/(InCu)S composite for robust solar hydrogen sulphide splitting via the synergy of solid solution and heterojunction. Applied catalysis / B, 243, 790–800. doi:10.1016/j.apcatb.2018.11.016

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). NH-SCR over V-W/TiO Investigated by Operando X-ray Absorption and Emission Spectroscopy. The journal of physical chemistry <Washington, DC> / C, 123 (23), 14338–14349. doi:10.1021/acs.jpcc.9b00804

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). The dynamic nature of Cu sites in Cu-SSZ-13 and the origin of the seagull NOx conversion profile during NH₃-SCR. Reaction chemistry & engineering, 4 (6), 1000–1018. doi:10.1039/c8re00290h

Gänzler, A. M.; Casapu, M.; Doronkin, D. E.; Maurer, F.; Lott, P.; Glatzel, P.; Votsmeier, M.; Deutschmann, O.; Grunwaldt, J.-D. (2019). Unravelling the Different Reaction Pathways for Low Temperature CO Oxidation on Pt/CeO2 and Pt/Al2O3 by Spatially Resolved Structure–Activity Correlations. The journal of physical chemistry letters, 10 (24), 7698–7705. doi:10.1021/acs.jpclett.9b02768

Gaur, A.; Hartmann Dabros, T. M.; Høj, M.; Boubnov, A.; Prüssmann, T.; Jelic, J.; Studt, F.; Jensen, A. D.; Grunwaldt, J.-D. (2019). Probing the Active Sites of MoS 2 Based Hydrotreating Catalysts Using Modulation Excitation Spectroscopy. ACS catalysis, 9 (3), 2568–2579. doi:10.1021/acscatal.8b04778

Gaur, A.; Schumann, M.; Raun, K. V.; Stehle, M.; Beato, P.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M. (2019). Operando XAS/XRD and Raman Spectroscopic Study of Structural Changes of the Iron Molybdate Catalyst during Selective Oxidation of Methanol. ChemCatChem, 11 (19), 4871–4883. doi:10.1002/cctc.201901025

Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2019). Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO‐Rich Synthesis Gas. Angewandte Chemie, 131 (44), 15802–15806. doi:10.1002/ange.201906256

Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2019). Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO-Rich Synthesis Gas. Angewandte Chemie / International edition, 58 (44), 15655–15659. doi:10.1002/anie.201906256

Li, J.; Ye, Y.; Ye, L.; Su, F.; Ma, Z.; Huang, J.; Xie, H.; Doronkin, D. E.; Zimina, A.; Grunwaldt, J.-D.; Zhou, Y. (2019). Sunlight induced photo-thermal synergistic catalytic CO2 conversion via localized surface plasmon resonance of MoO3-x. Journal of materials chemistry / A, 7 (6), 2821–2830. doi:10.1039/c8ta10922b

Serrer, M.-A.; Kalz, K. F.; Saraҫi E.; Lichtenberg, H.; Grunwaldt, J.-D. (2019). Role of Iron on the Structure and Stability of Ni3.2Fe/Al2O3 during Dynamic CO2 Methanation for P2X Applications. ChemCatChem, 11 (20), 5018–5021. doi:10.1002/cctc.201901425

Sharapa, D. I.; Doronkin, D. E.; Studt, F.; Grunwaldt, J.-D.; Behrens, S. (2019). Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling. Advanced materials, 31 (26), Art.Nr. 1807381. doi:10.1002/adma.201807381

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). Insight into the Nature of Active Species of Pt/Al2O3 Catalysts for low Temperature NH3 Oxidation. ChemCatChem, cctc.201901719. doi:10.1002/cctc.201901719

Tofighi, G.; Degler, D.; Junker, B.; Müller, S.; Lichtenberg, H.; Wang, W.; Weimar, U.; Barsan, N.; Grunwaldt, J.-D. (2019). Microfluidically synthesized Au, Pd and AuPd nanoparticles supported on SnO 2 for gas sensing applications. Sensors and actuators <Lausanne> / B, 292, 48–56. doi:10.1016/j.snb.2019.02.107

Tofighi, G.; Yu, X.; Lichtenberg, H.; Doronkin, D. E.; Wang, W.; Wöll, C.; Wang, Y.; Grunwaldt, J.-D. (2019). Chemical Nature of Microfluidically Synthesized AuPd Nanoalloys Supported on TiO₂. ACS catalysis, 9 (6), 5462–5473. doi:10.1021/acscatal.9b00161

Degler, D.; Müller, S. A.; Doronkin, D. E.; Wang, D.; Grunwaldt, J.-D.; Weimar, U.; Barsan, N. (2018). Platinum loaded tin dioxide: a model system for unravelling the interplay between heterogeneous catalysis and gas sensing. Journal of materials chemistry / A, 6 (5), 2034–2046. doi:10.1039/C7TA08781K

Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2018). An intermetallic Pd₂Ga nanoparticle catalyst for the single-step conversion of CO-rich synthesis gas to dimethyl ether. Applied catalysis / A, 562, 206–214. doi:10.1016/j.apcata.2018.04.018

Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J. D.; Sauer, J.; Behrens, S. (2018). Bifunctional catalysts based on colloidal Cu/Zn nanoparticles for the direct conversion of synthesis gas to dimethyl ether and hydrocarbons. Applied catalysis / A, 557, 99–107. doi:10.1016/j.apcata.2018.03.008

Grunwaldt, J.-D.; Lichtenberg, H.; Rothe, J. (2018). Inauguration Workshop of the CAT-ACT Beamline for Catalysis and Radionuclide Research at ANKA. Synchrotron radiation news, 31 (1), 16–19. doi:10.1080/08940886.2018.1409551

Hartmann Dabros, T. M.; Gaur, A.; Pintos, D. G.; Sprenger, P.; Høj, M.; Hansen, T. W.; Studt, F.; Gabrielsen, J.; Grunwaldt, J.-D.; Jensen, A. D. (2018). 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, 551, 106–121. doi:10.1016/j.apcata.2017.12.008

Kerkeni, B.; Berthout, D.; Berthomieu, D.; Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.; Chizallet, C. (2018). Copper Coordination to Water and Ammonia in Cuᴵᴵ-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments. The journal of physical chemistry <Washington, DC> / C, 122 (29), 16741–16755. doi:10.1021/acs.jpcc.8b03572

Sprenger, P.; Sheppard, T. L.; Suuronen, J.-P.; Gaur, A.; Benzi, F.; Grunwaldt, J.-D. (2018). Structural evolution of highly active multicomponent catalysts for selective propylene oxidation. Catalysts, 8 (9), Art. Nr.: 356. doi:10.3390/catal8090356

Sprenger, P.; Stehle, M.; Gaur, A.; Gänzler, A. M.; Gashnikova, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Reactivity of Bismuth Molybdates for Selective Oxidation of Propylene Probed by Correlative Operando Spectroscopies. ACS catalysis, 8 (7), 6462–6475. doi:10.1021/acscatal.8b00696

Staerz, A.; Boehme, I.; Degler, D.; Bahri, M.; Doronkin, D. E.; Zimina, A.; Brinkmann, H.; Herrmann, S.; Junker, B.; Ersen, O.; Grunwaldt, J.-D.; Weimar, U.; Barsan, N. (2018). Rhodium oxide surface-loaded gas sensors. Nanomaterials, 8 (11), Art. Nr.: 892. doi:10.3390/nano8110892

Tofighi, G.; Gaur, A.; Doronkin, D. E.; Lichtenberg, H.; Wang, W.; Wang, D.; Rinke, G.; Ewinger, A.; Dittmeyer, R.; Grunwaldt, J.-D. (2018). Microfluidic Synthesis of Ultrasmall AuPd Nanoparticles with a Homogeneously Mixed Alloy Structure in Fast Continuous Flow for Catalytic Applications. The journal of physical chemistry <Washington, DC> / C, 122 (3), 1721–1731. doi:10.1021/acs.jpcc.7b11383

Doronkin, D. E.; Lichtenberg, H.; Grunwaldt, J.-D. (2017). Cell designs for in situ and operando studies. XAFS Techniques for Catalysts, Nanomaterials, and Surfaces. Ed.: Y. Iwasawa, 75–89, Springer. doi:10.1007/978-3-319-43866-5_6

Benzi, F.; Sheppard, T. L.; Doronkin, D. E.; Meira, D. M.; Gänzler, A. M.; Baier, S.; Grunwaldt, J.-D. (2017). Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle. Catalysis science & technology, 7 (18), 3999–4006. doi:10.1039/c7cy00926g

Ferri, D.; Gaur, A.; Grunwaldt, J.-D. (2017). Genesis of a Co-Salicylaldimine Complex on Silica Followed in Situ by FTIR and XAS. ChemPhysChem, 18 (20), 2835–2839. doi:10.1002/cphc.201700550

Hengst, K.; Ligthart, D. A. J. M.; Doronkin, D. E.; Walter, K. M.; Kleist, W.; Hensen, E. J. M.; Grunwaldt, J.-D. (2017). Continuous Synthesis of γ-Valerolactone in a Trickle-Bed Reactor over Supported Nickel Catalysts. Industrial & engineering chemistry research, 56 (10), 2680–2689. doi:10.1021/acs.iecr.6b03493

Miao, D.; Cavusoglu, G.; Lichtenberg, H.; Yu, J.; Xu, H.; Grunwaldt, J.-D.; Goldbach, A. (2017). Water-gas shift reaction over platinum/strontium apatite catalysts. Applied catalysis / B, 202, 587–596. doi:10.1016/j.apcatb.2016.09.059

Tofighi, G.; Lichtenberg, H.; Pesek, J.; Sheppard, T. L.; Wang, W.; Schöttner, L.; Rinke, G.; Dittmeyer, R.; Grunwaldt, J.-D. (2017). Continuous microfluidic synthesis of colloidal ultrasmall gold nanoparticles : in situ study of the early reaction stages and application for catalysis. Reaction chemistry & engineering, 2 (6), 876–884. doi:10.1039/C7RE00114B

Zimina, A.; Dardenne, K.; Denecke, M. A.; Doronkin, D. E.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Spangenberg, T.; Steininger, R.; Vitova, T.; Geckeis, H.; Grunwaldt, J.-D. (2017). 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, 88 (11), Art. Nr.: 113113. doi:10.1063/1.4999928

Cavusoglu, G.; Dallmann, F.; Lichtenberg, H.; Goldbach, A.; Dittmeyer, R.; Grunwaldt, J.-D. (2016). In situ characterization of catalysts and membranes in a microchannel under high-temperature water gas shift reaction conditions. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012054. doi:10.1088/1742-6596/712/1/012054

Cavusoglu, G.; Lichtenberg, H.; Gaur, A.; Goldbach, A.; Grunwaldt, J.-D. (2016). Flame made ceria supported noble metal catalysts for efficient H₂ production via the water gas shift reaction. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012065. doi:10.1088/1742-6596/712/1/012065

Doronkin, D. E.; Baier, S.; Sheppard, T.; Benzi, F.; Grunwaldt, J.-D. (2016). Lithographically fabricated silicon microreactor for operando QEXAFS studies in exhaust gas catalysis during simulation of a standard driving cycle. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012030. doi:10.1088/1742-6596/712/1/012030

Doronkin, D. E.; Kuriganova, A. B.; Leontyev, I. N.; Baier, S.; Lichtenberg, H.; Smirnova, N. V.; Grunwaldt, J.-D. (2016). Electrochemically Synthesized Pt/Al₂O₃ Oxidation Catalysts. Catalysis letters, 146 (1), 452–463. doi:10.1007/s10562-015-1651-z

Gänzler, A. M.; Lichtenberg, H.; Frenkel, A. I.; Casapu, M.; Boubnov, A.; Wang, D.; Grunwaldt, J.-D. (2016). Using combined XAS/DRIFTS to study CO/NO Oxidation over Pt/Al2O3 catalysts. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012045. doi:10.1088/1742-6596/712/1/012045

Gentzen, M.; Habicht, W.; Doronkin, D. E.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2016). Bifunctional hybrid catalysts derived from Cu/Zn-based nanoparticles for single-step dimethyl ether synthesis. Catalysis science & technology, 6 (4), 1054–1063. doi:10.1039/c5cy01043h

Günter, T.; Doronkin, D. E.; Boubnov, A.; Carvalho, H. W. P.; Casapu, M.; Grunwaldt, J.-D. (2016). The SCR of NOx with NH3 Examined by Novel X-ray Emission and X-ray Absorption Methods. Topics in catalysis, 59 (10-12), 866–874. doi:10.1007/s11244-016-0561-7

Günter, T.; Doronkin, D. E.; Carvalho, H. W. P.; Casapu, M.; Grunwaldt, J.-D. (2016). HERFD-XANES and XES as complementary operando tools for monitoring the structure of Cu-based zeolite catalysts during NOx-removal by ammonia SCR. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012071. doi:10.1088/1742-6596/712/1/012071

Schöttle, C.; Doronkin, D. E.; Popescu, R.; Gerthsen, D.; Grunwaldt, J.-D.; Feldmann, C. (2016). Ti⁰ nanoparticles via lithium-naphthalenide-driven reduction. Chemical communications, 52 (37), 6316–6319. doi:10.1039/c6cc01957a

Zhou, Y.; Doronkin, D. E.; Chen, M.; Wei, S.; Grunwaldt, J.-D. (2016). Interplay of Pt and Crystal Facets of TiO₂: CO Oxidation Activity and Operando XAS/DRIFTS Studies. ACS catalysis, 6, 7799–7809. doi:10.1021/acscatal.6b01509

Zimina, A.; Dardenne, K.; Denecke, M. A.; Grunwaldt, J. D.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Steininger, R.; Vitova, T. (2016). The CAT-ACT Beamline at ANKA : A new high energy X-ray spectroscopy facility for CATalysis and ACTinide research. Journal of physics / Conference Series, 712 (1), Art. Nr. 012019. doi:10.1088/1742-6596/712/1/012019

Boubnov, A.; Lichtenberg, H.; Mangold, S.; Grunwaldt, J. D. (2015). Identification of the iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis. Journal of synchrotron radiation, 22, 410–426. doi:10.1107/S1600577514025880

Cavusoglu, G.; Miao, D.; Lichtenberg, H.; Carvalho, H. W. P.; Xu, H.; Goldbach, A.; Grunwaldt, J. D. (2015). Structure and activity of flame made ceria supported Rh and Pt water gas shift catalysts. Applied catalysis / A, 504, 381–390. doi:10.1016/j.apcata.2015.01.047

Gänzler, A. M.; Casapu, M.; Boubnov, A.; Müller, O.; Conrad, S.; Lichtenberg, H.; Frahm, R.; Grunwaldt, J. D. (2015). Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during oscillatory CO oxidation. Journal of catalysis, 328, 216–224. doi:10.1016/j.jcat.2015.01.002

Günter, T.; Carvalho, H. W. P.; Doronkin, D. E.; Sheppard, T.; Glatzel, P.; Atkins, A. J.; Rudolph, J.; Jacob, C. R.; Casapu, M.; Grunwaldt, J. D. (2015). Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13. Chemical communications, 51, 9227–9230. doi:10.1039/C5CC01758K

Teoh, Q. Y.; Doronkin, D. E.; Beh, G. K.; Dreyer, J. A. H.; Grunwaldt, J. D. (2015). Methanation of carbon monoxide over promoted flame-synthesized cobalt clusters stabilized in zirconia matrix. Journal of catalysis, 326, 182–193. doi:10.1016/j.jcat.2015.03.014

Boubnov, A.; Carvalho, H. W. P.; Doronkin, D. E.; Günter, T.; Gallo, E.; Atkins, A. J.; Jacob, C. R.; Grunwaldt, J.-D. (2014). Selective Catalytic Reduction of NO Over Fe-ZSM-5: Mechanistic Insights by Operando HERFD-XANES and Valence-to-Core X-ray Emission Spectroscopy. Journal of the American Chemical Society, 136 (37), 13006–13015. doi:10.1021/ja5062505

Tepluchin, M.; Casapu, M.; Boubnov, A.; Lichtenberg, H.; Wang, D.; Kureti, S.; Grunwaldt, J.-D. (2014). Fe and Mn-Based catalysts supported on γ-Al₂O₃ for CO oxidation under O₂-rich conditions. ChemCatChem, 6 (6), 1763–1773. doi:10.1002/cctc.201301040

Boubnov, A.; Lichtenberg, H.; Mangold, S.; Grunwaldt, J.-D. (2013). Structure and reducibility of a Fe/Al₂O₃ catalyst for selective catalytic reduction studied by Fe K-edge XAFS spectroscopy. Journal of physics / Conference Series, 430 (1), 012054/1–4. doi:10.1088/1742-6596/430/1/012054

Günter, T.; Casapu, M.; Doronkin, D.; Mangold, S.; Trouillet, V.; Augenstein, T.; Grunwaldt, J.-D. (2013). Potential and limitations of natural chabazite for selective catalytic reduction of NOₓ with NH₃. Chemie - Ingenieur - Technik, 85 (5), 632–641. doi:10.1002/cite.201200182