Publications


2022
Journal Articles
Akhmetov, V.; Feofanov, M.; Ruppenstein, C.; Lange, J.; Sharapa, D.; Krstić, M.; Hampel, F.; Kataev, E. A.; Amsharov, K. (2022). Acenaphthenoannulation Induced by the Dual Lewis Acidity of Alumina. Chemistry - A European Journal. doi:10.1002/chem.202200584Full textFull text of the publication as PDF document
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Tropea, C.; Hussong, J.; Wörner, M.; Marschall, H. (2022). Interfacial relaxation – Crucial for phase-field methods to capture low to high energy drop-film impacts. International Journal of Heat and Fluid Flow, 94, Art.-Nr.: 108943. doi:10.1016/j.ijheatfluidflow.2022.108943
Banivaheb, S.; Pitter, S.; Delgado, K. H.; Rubin, M.; Sauer, J.; Dittmeyer, R. (2022). Recent Progress in Direct DME Synthesis and Potential of Bifunctional Catalysts. Chemie - Ingenieur - Technik, 94 (3), 240–255. doi:10.1002/cite.202100167Full textFull text of the publication as PDF document
Eggart, D.; Huang, X.; Zimina, A.; Yang, J.; Pan, Y.; Pan, X.; Grunwaldt, J.-D. (2022). Operando XAS Study of Pt-Doped CeO2 for the Nonoxidative Conversion of Methane. ACS Catalysis, 12, 3897–3908. doi:10.1021/acscatal.2c00092Full textFull text of the publication as PDF document
Grafmüller, J.; Böhm, A.; Zhuang, Y.; Spahr, S.; Müller, P.; Otto, T. N.; Bucheli, T. D.; Leifeld, J.; Giger, R.; Tobler, M.; Schmidt, H.-P.; Dahmen, N.; Hagemann, N. (2022). Wood Ash as an Additive in Biomass Pyrolysis: Effects on Biochar Yield, Properties, and Agricultural Performance. ACS Sustainable Chemistry & Engineering, 10 (8), Artk.Nr.: 2720–2729. doi:10.1021/acssuschemeng.1c07694Full textFull text of the publication as PDF document
Karp, S. G.; Schmitt, C. C.; Moreira, R.; de Oliveira Penha, R.; de Mello, A. F. M.; Herrmann, L. W.; Soccol, C. R. (2022). Sugarcane Biorefineries: Status and Perspectives in Bioeconomy. BioEnergy Research. doi:10.1007/s12155-022-10406-4
Kirchberger, F. M.; Liu, Y.; Plessow, P. N.; Tonigold, M.; Studt, F.; Sanchez-Sanchez, M.; Lercher, J. A. (2022). Mechanistic differences between methanol and dimethyl ether in zeolite-catalyzed hydrocarbon synthesis. Proceedings of the National Academy of Sciences of the United States of America, 119 (4), Art.-Nr. e2103840119. doi:10.1073/pnas.2103840119Full textFull text of the publication as PDF document
Koutsonikolas, D.; Karagiannakis, G.; Plakas, K.; Chatzis, V.; Skevis, G.; Giudicianni, P.; Amato, D.; Sabia, P.; Boukis, N.; Stoll, K. (2022). Membrane and Electrochemical Based Technologies for the Decontamination of Exploitable Streams Produced by Thermochemical Processing of Contaminated Biomass. Energies, 15 (7), Art. Nr.: 2683. doi:10.3390/en15072683Full textFull text of the publication as PDF document
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). Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation. ACS catalysis, 12, 2473–2486. doi:10.1021/acscatal.1c04565
Mrosk, C. (2022). CarbonCycleLab: Wasserstoff für die Circular Economy = CarbonCycleLab: Hydrogen for the Circular Economy. LookIT. LookKIT : Das Magazin für Forschung, Lehre, Innovation, (01/2022), 38–41. 
Neukum, D.; Baumgarten, L.; Wüst, D.; Sarma, B. B.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D. (2022). Challenges of green FDCA production from bio‐derived HMF: Overcoming deactivation by concomitant amino acids. ChemSusChem. doi:10.1002/cssc.202200418
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, Art.-Nr.: 133125. doi:10.1016/j.molstruc.2022.133125
Trinkies, L. L.; Düll, A.; Zhang, J.; Urban, S.; Deschner, B. J.; Kraut, M.; Ladewig, B. P.; Weltin, A.; Kieninger, J.; Dittmeyer, R. (2022). Investigation of mass transport processes in a microstructured membrane reactor for the direct synthesis of hydrogen peroxide. Chemical engineering science, 248, Ar. Nr.: 117145. doi:10.1016/j.ces.2021.117145Full textFull text of the publication as PDF document
Wang, J.; Sauter, E.; Nefedov, A.; Heißler, S.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wang, Y.; Wöll, C. (2022). Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.2c02420
Wang, S.; Rohlfs, P.; Börnhorst, M.; Schillaci, A.; Marschall, H.; Deutschmann, O.; Wörner, M. (2022). Bubble Cutting by Cylinder – Elimination of Wettability Effects by a Separating Liquid Film. Chemie-Ingenieur-Technik, 94 (3), 385–392. doi:10.1002/cite.202100145Full textFull text of the publication as PDF document
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). Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X‐Ray Ptychography. Advanced science, 2105432. doi:10.1002/advs.202105432Full textFull text of the publication as PDF document
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). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem. doi:10.1002/cctc.202101878
Wild, S.; Lacerda de Oliveira Campos, B.; Zevaco, T. A.; Guse, D.; Kind, M.; Pitter, S.; Herrera Delgado, K.; Sauer, J. (2022). Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO-rich syngas. Reaction chemistry & engineering. doi:10.1039/d1re00470kFull textFull text of the publication as PDF document
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. doi:10.1002/anie.202116517
Yu, S.; Guo, B.; Johnsen, S.; Wiegand, G.; Lemmer, U.; Guo, X.; Zhang, M.; Li, Y.; Sprau, C.; Hölscher, H.; Colsmann, A.; Gomard, G. (2022). Nanoporous Polymer Reflectors for Organic Solar Cells. Energy technology, 10 (2), Art.-Nr. 2100676. doi:10.1002/ente.202100676Full textFull text of the publication as PDF document
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, 4608–4617. doi:10.1021/acscatal.1c05778
Presentations
Börnhorst, M.; Homan, T.; Rohlfs, P.; Deen, N. G.; Wörner, M. (2022, February 22). Charakterisierung der Zerteilungsdynamik von Blasen an Zylindern. Jahrestreffen der ProcessNet-Fachgruppen Mehrphasenströmungen, Mechanische Flüssigkeitsabtrennung sowie Zerkleinern und Klassieren (2022), Online, February 21–22, 2022. Full textFull text of the publication as PDF document
Doronkin, D. (2022, January 20). Operando XAS Probing Pd Catalysts in HIgh Pressure Chemical Reactors. GlobalXAS Journal Club (2022), Online, January 20, 2022. 
Doronkin, D.; Deschner, B. J.; Wang, S.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D. (2022, June 8). Operando high pressure XAS and QEXAFS-XRD to study bimetallic Pd-based catalysts for the direct H2O2 synthesis. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022. 
Grunwaldt, J.-D. (2022, March 22). Catalysis for a clean and sustainable future: Dynamics on different time and complexity scales. European XFEL Science Seminar (2022), Hamburg, Germany, March 22, 2022. 
Grunwaldt, J.-D. (2022, January). Research with Photons – Light for the Future, Committee “Research with Synchrotron Radiation”. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022. 
Maurer, F.; Lott, P.; Murzin, V.; Betz, B.; Votsmeier, M.; Vernoux, P.; Loridant, S.; Bornmann, B.; Frahm, R.; Deutschmann, O.; Casapu, M.; Grunwaldt, J.-D. (2022, January 25). Time and spatially resolved operando QEXAFS studies during activation of Pt/CeO2 for low tem-perature oxidation catalysis. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022. 
Neukum, D.; Baumgarten, L.; Wüst, D.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D. (2022, June 7). Comparison of pure and bio-based HMF solution on the activity of noble metal based oxidation catalysts. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022. 
Sarma, B. B. (2022, May). Understanding Dynamics of Supported Atoms and Clusters with In-Situ/Operando Spectroscopy. 1st Conference of Applied Surface Chemistry (COAST 2022), Wiener Neustadt, Austria, May 16–17, 2022. 
Serrer, M.-A.; Zimina, A.; Saraҫi E.; Loewert, M.; Pfeifer, P.; Grunwaldt, J.-D. (2022, March 30). High-pressure XAS & XRD infrastructure for operando catalytic studies at the synchrotron: A Fischer-Tropsch long-term experiment. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Sheppard, T.; Becher, J.; Sanchez, D. F.; Doronkin, D.; Grunwaldt, J.-D. (2022, March 30). Sample environment for multimodal operando hard X-ray tomography of catalysts and functional materials. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E. (2022, March 25). Bio-terephthalate precursors via the Diels-Alder cycloaddition of isoprene and methyl acrylate over solid Lewis acid Sn-BEA zeolite. 33. Deutsche Zeolith-Tagung (2022), Frankfurt am Main, Germany, March 23–25, 2022. 
Treu, P.; Saraçi, E.; Sarma, B. B.; Grunwaldt, J.-D. (2022, June 6). Oxidative C-C bond Cleavage of Vicinal Diols on Isolated Fe-sites in Fe/MFI catalysts. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022. 
Tusini, E.; Casapu, M.; Zimina, A.; Grunwaldt, J.-D. (2022, June 8). Operando X-Ray Absorption Spectroscopy of Bimetallic Catalysts for Methane Steam Reforming. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022. 
Warmuth, L.; Pitter, S. (2022, June 30). Influence of impurities in H2 from different sources on the deactivation of methanol synthesis catalyst. Curiosity - A French German Young Chemists Conference (2022), Mulhouse, France, June 30–July 1, 2022. 
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kulkarni, S.; Keller, T.; Gläser, R.; Sheppard, T. L. (2022, March 29). High-resolution Imaging of the Calcination and Porosity Evolution of Ni/Al2O3 Catalysts by Ptychographic X-ray Microscopy. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Wollak, B.; Sheppard, T. L.; Doronkin, D. E.; Dippel, A.-C.; Sturm, M.; Gutowski, O.; Schmidt, M.; Korup, O.; Horn, R. (2022, March 31). Fixed-bed Reactor for Operando Spatially-Resolved Structure-Activity Profiling. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Wollak, B. M.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Horn, R. (2022, March 30). Compact Profile Reactor for Structure-Activity Studies on Solid Catalysts by Spatially Resolved XAS, Concentration- and Temperature Profiling. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Posters
Baumgarten, L.; Neukum, D.; Saraçi, E.; Grunwaldt, J.-D. (2022, January 11). 5-(hydroxymethyl) furfural (HMF) as platform molecule from bio-based feedstocks for noble metal based selective oxidations. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Boubnov, A. (2022, January 11). X-Ray Spectroscopy on Zinc in Methanol Catalysts: Using Theory to Understand Experimental Data. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Czioska, S.; Boubnov, A.; Escalera-Lopez, D.; Geppert, J.; Röse, P.; Saraçi, E.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2022, January 10). Mechanistic and Structural Investigation of OER Catalysts by Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Das, S.; Roeh, J. T.; Lyubomirskiy, M.; Galbierz, V.; Doehrmann, R.; Marx, R.; Schropp, A.; Schroer, C.; Sheppard, T. L. (2022, January 26). 2D in situ nanoreactor for catalyst characterization using hard X-rays and electron microscopy. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022. 
Escalera López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraҫi E.; Krewer, U.; Grunwaldt, J.-D.; Guay, D.; Cherevko, S. (2022, January 10). Strategies to uncover activity-stability relationships in Ir-based catalysts for water splitting. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Marchuk, V.; Doronkin, D. E.; Grunwaldt, J.-D. (2022, March 30). Operando QEXAFS study of diesel exhaust ammonia slip catalysts during realistic driving cycles. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Maurer, F.; Dolcet, P.; Gänzler, A.; Casapu, M.; Grunwaldt, J.-D. (2022, March 30). Tracking the evolution of Pt single site catalysts during CO oxidation using QEXAFS, HERFD-XANES and MCR-ALS as advanced tools. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022. 
Schropp, A.; Alizadehfanaloo, S.; Garrevoet, J.; Seyrich, M.; Murzin, V.; Wollak, B.; Horn, R.; Becher, J.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G. (2022, January 26). Rapid XANES Imaging to Visualize Structural Changes in Catalysis. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022. 
Schulte, M. L.; Chacko, R.; Serrer, M.-A.; Stehle, M.; Angeli, S.; Gossler, H.; Shirsath, A. B.; Saraçi, E.; Deutschmann, O.; Grunwaldt, J.-D. (2022, January 10). Spatially-Resolved Insights into Local Activity and Structure of Ni Based CO2 Methanation Catalysts in Fixed-Bed Reactors. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Titus, J.; Abel, K. L.; Kuschel, O.; Weber, S.; Poppitz, D.; Sheppard, T.; Gläser, R. (2022, January 10). Control of Textural Properties and Ni Species of Ni-Catalysts Supported on Si-Stabilized ZrO₂. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Warmuth, L.; Polierer, S.; Zevaco, T. A.; Pitter, S. (2022, June 27). Influence of impurities in H2 from different sources on the deactivation of methanol synthesis catalysts. 55 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022. 
Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2022, January 10). X-ray Ptychography as a Tool to Understand Catalyst Synthesis and Deactivation in 3D. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022. 
Weber, S.; Schropp, A.; Lyubomirskiy, M.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Sheppard, T. L. (2022, January 26). In situ Study of the Porosity Evolution of a Hierarchically Porous Catalyst by X-ray Ptychography. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022. 
2021
Book Chapters
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125. 
Semmel, M.; Ali, R. E.; Ouda, M.; Schaadt, A.; Sauer, J.; Hebling, C. (2021). Power-to-DME: a cornerstone towards a sustainable energy system. Power to Fuel., 123–151, Elsevier. doi:10.1016/B978-0-12-822813-5.00010-2
Journal Articles
Akhmetov, V.; Feofanov, M.; Sharapa, D. I.; Amsharov, K. (2021). Alumina-Mediated π-Activation of Alkynes. Journal of the American Chemical Society, 143 (37), 15420–15426. doi:10.1021/jacs.1c07845
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
Amsler, J.; Plessow, P. N.; Studt, F.; Bučko, T. (2021). Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration. Journal of chemical theory and computation, 17 (2), 1155–1169. doi:10.1021/acs.jctc.0c01022
Awasthi, M. K.; Rai, R. K.; Behrens, S.; Singh, S. K. (2021). Low-temperature hydrogen production from methanol over a ruthenium catalyst in water. Catalysis science & technology, 11 (1), 136–142. doi:10.1039/d0cy01470b
Bartenbach, D.; Wenzel, O.; Popescu, R.; Faden, L.-P.; Reiß, A.; Kaiser, M.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid‐Phase Synthesis of Highly Reactive Rare‐Earth Metal Nanoparticles. Angewandte Chemie / International edition, 60 (32), 17373–17377. doi:10.1002/anie.202104955Full textFull text of the publication as PDF document
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/s41929-020-00552-3Full textFull text of the publication as PDF document
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/catal11040459Full textFull text of the publication as PDF document
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.202001320Full textFull text of the publication as PDF document
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/s41467-021-21925-7Full textFull text of the publication as PDF document
Cattaneo, S.; Capelli, S.; Stucchi, M.; Bossola, F.; Dal Santo, V.; Araujo-Lopez, E.; Sharapa, D. I.; Studt, F.; Villa, A.; Chieregato, A.; Vandegehuchte, B. D.; Prati, L. (2021). Discovering the role of substrate in aldehyde hydrogenation. Journal of Catalysis, 399, 162–169. doi:10.1016/j.jcat.2021.05.012
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). Increased Ir–Ir Interaction in Iridium Oxide during the Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. ACS catalysis, 11 (15), 10043–10057. doi:10.1021/acscatal.1c02074Full textFull text of the publication as PDF document
Dadvand, A.; Bagheri, M.; Samkhaniani, N.; Marschall, H.; Wörner, M. (2021). Advected phase-field method for bounded solution of the Cahn–Hilliard Navier–Stokes equations. Physics of fluids, 33 (5), Art.-Nr.: 053311. doi:10.1063/5.0048614
Delgado Otalvaro, N.; Gül Bilir, P.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Modeling the Direct Synthesis of Dimethyl Ether using Artificial Neural Networks. Chemie - Ingenieur - Technik, 93 (5), 754–761. doi:10.1002/cite.202000226Full textFull text of the publication as PDF document
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:10.1063/5.0057011Full textFull text of the publication as PDF document
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.0c11246Full textFull text of the publication as PDF document
Dietrich, C.; Chen, S.; Uzunidis, G.; Hähsler, M.; Träutlein, Y.; Behrens, S. (2021). Bimetallic Pd/Sn‐based Nanoparticles and their Catalytic Properties in the Semihydrogenation of Diphenylacetylene. ChemistryOpen, 10 (2), 296–304. doi:10.1002/open.202000298
Drexler, M.; Haltenort, P.; Zevaco, T. A.; Arnold, U.; Sauer, J. (2021). Synthesis of tailored oxymethylene ether (OME) fuels via transacetalization reactions. Sustainable energy & fuels, 5 (17), 4311–4326. doi:10.1039/d1se00631bFull textFull text of the publication as PDF document
Egeberg, A.; Faden, L.-P.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid-phase Synthesis of Highly Oxophilic Zerovalent Niobium and Tantalum Nanoparticles. Chemical communications, 57, 3648–3651. doi:10.1039/D1CC00681AFull textFull text of the publication as PDF document
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:10.1063/5.0038428Full textFull text of the publication as PDF document
Escalera-López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraçi, E.; Krewer, U.; Grunwaldt, J.-D.; Cherevko, S. (2021). Phase- and Surface Composition-Dependent Electrochemical Stability of Ir-Ru Nanoparticles during Oxygen Evolution Reaction. ACS catalysis, 11 (15), 9300–9316. doi:10.1021/acscatal.1c01682Full textFull text of the publication as PDF document
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.2021.130869Full textFull text of the publication as PDF document
Goncalves, T. J.; Plessow, P. N.; Studt, F. (2021). Theoretical Study on the NO Selective Catalytic Reduction on Single-Cu Sites and Brønsted Acid Sites in Cu-SSZ-13. The journal of physical chemistry <Washington, DC> / C, 125 (23), 12594–12602. doi:10.1021/acs.jpcc.1c01066
Goodman, E. D.; Carlson, E. Z.; Dietze, E. M.; Tahsini, N.; Johnson, A.; Aitbekova, A.; Nguyen Taylor, T.; Plessow, P. N.; Cargnello, M. (2021). Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena. Nanoscale, 13 (2), 930–938. doi:10.1039/d0nr07960j
Gossler, S.; Ruwe, L.; Yuan, W.; Yang, J.; Chen, X.; Schmitt, S.; Maier, L.; Kohse-Höinghaus, K.; Qi, F.; Deutschmann, O. (2021). Exploring the interaction kinetics of butene isomers and NO at low temperatures and diluted conditions. Combustion and Flame, 233, Art.-Nr.: 111557. doi:10.1016/j.combustflame.2021.111557Full textFull text of the publication as PDF document
Hähsler, M.; Nádasi, H.; Feneberg, M.; Marino, S.; Giesselmann, F.; Behrens, S.; Eremin, A. (2021). Magnetic Tilting in Nematic Liquid Crystals Driven by Self‐Assembly. Advanced functional materials, 2101847. doi:10.1002/adfm.202101847Full textFull text of the publication as PDF document
Hakimioun, A. H.; Dietze, E. M.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Joos, L.; Plessow, P. N.; Studt, F. (2021). Theoretical Investigation of the Size Effect on the Oxygen Adsorption Energy of Coinage Metal Nanoparticles. Catalysis letters, 151, 3165–3169. doi:10.1007/s10562-021-03567-yFull textFull text of the publication as PDF document
Halim, R.; Papachristou, I.; Kubisch, C.; Nazarova, N.; Wüstner, R.; Steinbach, D.; Chen, G. Q.; Deng, H.; Frey, W.; Posten, C.; Silve, A. (2021). Hypotonic osmotic shock treatment to enhance lipid and protein recoveries from concentrated saltwater Nannochloropsis slurries. Fuel, 287, Art.-Nr.: 119442. doi:10.1016/j.fuel.2020.119442Full textFull text of the publication as PDF document
Hoeven, J. E. S. van der; Jelic, J.; Olthof, L. A.; Totarella, G.; Dijk-Moes, R. J. A. van; Krafft, J.-M.; Louis, C.; Studt, F.; Blaaderen, A. van; Jongh, P. E. de. (2021). Unlocking synergy in bimetallic catalysts by core–shell design. Nature Materials, 20, 1216–1220. doi:10.1038/s41563-021-00996-3
Karp, S. G.; Medina, J. D. C.; Letti, L. A. J.; Woiciechowski, A. L.; Carvalho, J. C. de; Schmitt, C. C.; Oliveira Penha, R. de; Kumlehn, G. S.; Soccol, C. R. (2021). Bioeconomy and biofuels: the case of sugarcane ethanol in Brazil. Biofuels, Bioproducts and Biorefining. doi:10.1002/bbb.2195
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/d0cy01533dFull textFull text of the publication as PDF document
Kim, Y. Y.; Keller, T. F.; Goncalves, T. J.; Abuin, M.; Runge, H.; Gelisio, L.; Carnis, J.; Vonk, V.; Plessow, P. N.; Vartaniants, I. A.; Stierle, A. (2021). Single alloy nanoparticle x-ray imaging during a catalytic reaction. Science advances, 7 (40), Art.Nr.: eabh0757. doi:10.1126/sciadv.abh0757Full textFull text of the publication as PDF document
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Development of Consistent Kinetic Models Derived from a Microkinetic Model of the Methanol Synthesis. Industrial & engineering chemistry research, 60 (42), 15074–15086. doi:10.1021/acs.iecr.1c02952
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Wild, S.; Studt, F.; Pitter, S.; Sauer, J. (2021). Correction: Surface reaction kinetics of the methanol synthesis and the water gas shift reaction on Cu/ZnO/AlO. Reaction chemistry & engineering, 6 (8), 1483–1486. doi:10.1039/d1re90031eFull textFull text of the publication as PDF document
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Wild, S.; Studt, F.; Pitter, S.; Sauer, J. (2021). Surface reaction kinetics of the methanol synthesis and the water gas shift reaction on Cu/ZnO/Al₂O₃. Reaction chemistry & engineering. doi:10.1039/D1RE00040C
Lacková, V.; Schroer, M. A.; Honecker, D.; Hähsler, M.; Vargová, H.; Zakutanská, K.; Behrens, S.; Kováč, J.; Svergun, D. I.; Kopčanský, P.; Tomašovičová, N. (2021). Clustering in ferronematics : The effect of magnetic collective ordering. iScience, 24 (12), Article no: 103493. doi:10.1016/j.isci.2021.103493Full textFull text of the publication as PDF document
Liebertseder, M.; Wang, D.; Cavusoglu, G.; Casapu, M.; Wang, S.; Behrens, S.; Kübel, C.; Grunwaldt, J.-D.; Feldmann, C. (2021). NaCl-template-based synthesis of TiO₂-Pd/Pt hollow nanospheres for H₂O₂ direct synthesis and CO oxidation. Nanoscale, 13 (3), 2005–2011. doi:10.1039/d0nr08871dFull textFull text of the publication as PDF document
Liu, S.; Yang, C.; Zha, S.; Sharapa, D.; Studt, F.; Zhao, Z.-J.; Gong, J. (2021). Moderate Surface Segregation Promotes Selective Ethanol Production in CO Hydrogenation Reaction over CoCu Catalysts. Angewandte Chemie - International Edition. doi:10.1002/anie.202109027
Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y. (2021). Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol. Applied catalysis / B, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695
Mantei, F.; Ali, R. E.; Baensch, C.; Voelker, S.; Haltenort, P.; Burger, J.; Dietrich, R.-U.; Assen, N. von der; Schaadt, A.; Sauer, J.; Salem, O. (2021). Techno-economic assessment and Carbon footprint of processes for the large-scale production of Oxymethylene Dimethyl Ethers from Carbon Dioxide and Hydrogen. Sustainable energy & fuels. doi:10.1039/D1SE01270CFull textFull text of the publication as PDF document
Marquart, W.; Raseale, S.; Prieto, G.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Claeys, M.; Fischer, N. (2021). CO2 Reduction over Mo2C-Based Catalysts. ACS catalysis, 11, 1624–1639. doi:10.1021/acscatal.0c05019
Mazzanti, S.; Cao, S.; ten Brummelhuis, K.; Völkel, A.; Khamrai, J.; Sharapa, D. I.; Youk, S.; Heil, T.; Tarakina, N. V.; Strauss, V.; Ghosh, I.; König, B.; Oschatz, M.; Antonietti, M.; Savateev, A. (2021). All-organic Z-scheme photoreduction of CO with water as the donor of electrons and protons. Applied catalysis / B, 285, Art. Nr.: 119773. doi:10.1016/j.apcatb.2020.119773
Naina, V. R.; Wang, S.; Sharapa, D. I.; Zimmermann, M.; Hähsler, M.; Niebl-Eibenstein, L.; Wang, J.; Wöll, C.; Wang, Y.; Singh, S. K.; Studt, F.; Behrens, S. (2021). Shape-Selective Synthesis of Intermetallic Pd₃Pb Nanocrystals and Enhanced Catalytic Properties in the Direct Synthesis of Hydrogen Peroxide. ACS catalysis, 11 (4), 2288–2301. doi:10.1021/acscatal.0c03561Full textFull text of the publication as PDF document
Niebel, A.; Funke, A.; Pfitzer, C.; Dahmen, N.; Weih, N.; Richter, D.; Zimmerlin, B. (2021). Fast Pyrolysis of Wheat Straw - Improvements of Operational Stability in 10 Years of Bioliq Pilot Plant Operation. Energy and Fuels, 35 (14), 11333–11345. doi:10.1021/acs.energyfuels.1c00851
Obeid, F.; Van, T. C.; Guo, B.; Surawski, N. C.; Hornung, U.; Brown, R. J.; Ramirez, J. A.; Thomas-Hall, S. R.; Stephens, E.; Hankamer, B.; Rainey, T. (2021). The fate of nitrogen and sulphur during co-liquefaction of algae and bagasse: Experimental and multi-criterion decision analysis. Biomass and bioenergy, 151, Art.Nr. 106119. doi:10.1016/j.biombioe.2021.106119
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). Unravelling the Zn‐Cu Interaction during Activation of a Zn‐promoted Cu/MgO Model Methanol Catalyst. ChemCatChem, 13 (19), 4120–4132. doi:10.1002/cctc.202100692Full textFull text of the publication as PDF document
Raupp, Y. S.; Löser, P. S.; Behrens, S.; Meier, M. A. R. (2021). Selective Catalytic Epoxide Ring-Opening of Limonene Dioxide with Water. ACS sustainable chemistry & engineering, 9 (23), 7713–7718. doi:10.1021/acssuschemeng.1c01788
Samkhaniani, N.; Marschall, H.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2021). Numerical simulation of drop impingement and bouncing on a heated hydrophobic surface. Journal of Physics: Conference Series, 2116 (1), Art.-Nr.: 012073. doi:10.1088/1742-6596/2116/1/012073Full textFull text of the publication as PDF document
Samkhaniani, N.; Stroh, A.; Holzinger, M.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2021). Bouncing drop impingement on heated hydrophobic surfaces. International journal of heat and mass transfer, 180, Art.-Nr.: 121777. doi:10.1016/j.ijheatmasstransfer.2021.121777
Sarma, B. B.; Agostini, G.; Farpón, M. G.; Marini, C.; Pfänder, N.; Prieto, G. (2021). Bottom-up assembly of bimetallic nanocluster catalysts from oxide-supported single-atom precursors. Journal of materials chemistry / A, 9 (13), 8401–8415. doi:10.1039/d1ta00421bFull textFull text of the publication as PDF document
Schäfer, B.; Toro Chacón, F. A.; Brinkmann, T.; Drews, A.; Jochem, E.; Sauer, J. (2021). Bewertung von Energieeffizienztechnologien mit der Methodik EDUAR&D an zwei Beispielen. Chemie - Ingenieur - Technik, 93 (8), 1247–1256. doi:10.1002/cite.202000251Full textFull text of the publication as PDF document
Schmitt, C. C.; Fonseca, F. G.; Fraga, M. M. C.; Wisniewski, J., Alberto; Karp, S.; José, Á. H. M.; Rodrigues, R. C. L. B. L.; Moreira, R.; Hirayama, D. E.; Raffelt, K.; Dahmen, N. (2021). Thermochemical and catalytic conversion technologies for the development of Brazilian biomass utilization. Catalysts, 11 (12), 1549. doi:10.3390/catal11121549Full textFull text of the publication as PDF document
Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2021). Homogeneous conversion of NO and NH with CH, CO, and CH at the diluted conditions of exhaust-gases of lean operated natural gas engines. International journal of chemical kinetics, 53 (2), 213–229. doi:10.1002/kin.21435Full textFull text of the publication as PDF document
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). Rationalizing an Unexpected Structure Sensitivity in Heterogeneous Catalysis - CO Hydrogenation over Rh as a Case Study. ACS Catalysis, 11 (9), 5189–5201. doi:10.1021/acscatal.0c05002
Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Effect of Aluminum Siting in H-ZSM-5 on Reaction Barriers. Journal of Physical Chemistry C, 125 (37), 20373–20379. doi:10.1021/acs.jpcc.1c06670
Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Trends in the Reactivity of Proximate Aluminum Sites in H-SSZ-13. Journal of Physical Chemistry C, 125 (30), 16508–16515. doi:10.1021/acs.jpcc.1c03509
Soares Dias, A. P.; Gomes Fonseca, F.; Catarino, M.; Gomes, J. (2021). Biodiesel Glycerin Valorization into Oxygenated Fuel Additives. Catalysis Letters. doi:10.1007/s10562-021-03646-0
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.202100054Full textFull text of the publication as PDF document
Stehle, M.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Besser, H.; Pfleging, W.; Grunwaldt, J.-D. (2021). Spatial activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein. Catalysis science & technology, 11, 5781–5790. doi:10.1039/D1CY00553GFull textFull text of the publication as PDF document
Stökle, K.; Hülsemann, B.; Steinbach, D.; Cao, Z.; Oechsner, H.; Kruse, A. (2021). A biorefinery concept using forced chicory roots for the production of biogas, hydrochar, and platform chemicals. Biomass Conversion and Biorefinery, 11, 1453–1463. doi:10.1007/s13399-019-00527-w
Straß-Eifert, A.; Sheppard, T. L.; Becker, H.; Friedland, J.; Zimina, A.; Grunwaldt, J.-D.; Güttel, R. (2021). Cobalt-based Nanoreactors in Combined Fischer-Tropsch Synthesis and Hydroprocessing: Effects on Methane and CO Selectivity. ChemCatChem, 13 (24), 5216–5227. doi:10.1002/cctc.202101053Full textFull text of the publication as PDF document
Taghipour, A.; Hornung, U.; Ramirez, J. A.; Brown, R. J.; Rainey, T. J. (2021). Aqueous phase recycling in catalytic hydrothermal liquefaction for algal biomass and the effect on elemental accumulation and energy efficiency. Journal of cleaner production, 289, Article: 125582. doi:10.1016/j.jclepro.2020.125582
Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E. (2021). Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor. Reaction chemistry & engineering. doi:10.1039/D1RE00499AFull textFull text of the publication as PDF document
Wang, X.; Funke, A.; Cheng, Y.-J.; Song, F.; Yin, S.; Liang, S.; Zuo, X.; Gao, J.; Müller-Buschbaum, P.; Xia, Y. (2021). Continuous fast pyrolysis synthesis of TiO₂/C nanohybrid lithium-ion battery anode. Nano select, 2 (9), 1770–1778. doi:10.1002/nano.202100015
Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Harte Röntgen‐Nanotomographie zur 3D‐Analyse der Verkokung in Nickel‐basierten Katalysatoren. Angewandte Chemie, 133 (40), 21940–21945. doi:10.1002/ange.202106380Full textFull text of the publication as PDF document
Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Hard X‐ray Nanotomography for 3D Analysis of Coking in Nickel‐based Catalysts. Angewandte Chemie / International edition, 60 (40), 21772–21777. doi:10.1002/anie.202106380Full textFull text of the publication as PDF document
Wild, S.; Polierer, S.; Zevaco, T. A.; Guse, D.; Kind, M.; Pitter, S.; Delgado, K. H.; Sauer, J. (2021). Direct DME synthesis on CZZ/H-FER from variable CO/CO syngas feeds. RSC Advances, 11 (5), 2556–2564. doi:10.1039/d0ra09754cFull textFull text of the publication as PDF document
Wörner, M.; Samkhaniani, N.; Cai, X.; Wu, Y.; Majumdar, A.; Marschall, H.; Frohnapfel, B.; Deutschmann, O. (2021). Spreading and rebound dynamics of sub-millimetre urea-water-solution droplets impinging on substrates of varying wettability. Applied mathematical modelling, 95, 53–73. doi:10.1016/j.apm.2021.01.038Full textFull text of the publication as PDF document
Yang, C.; Cao, Y.; Plessow, P. N.; Wang, J.; Nefedov, A.; Heissler, S.; Studt, F.; Wang, Y.; Idriss, H.; Mayerhöfer, T. G.; Wöll, C. (2021). NO Adsorption and Photochemistry on Ceria Surfaces. Journal of Physical Chemistry C, 126 (4), 2253–2263. doi:10.1021/acs.jpcc.1c10181
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/s41586-021-03923-3Full textFull text of the publication as PDF document
Conference Papers
Arnold, U.; Haltenort, P.; Drexler, M.; Sauer, J. (2021). Recent developments in the field of oxymethylene ethers (OMEs) as diesel fuels. 13th International Colloquium Fuels - Conventional and Future Energy for Automobiles : conference proceesings 2021 ; [Ostfildern, 15.-16.09.2021]. Ed.: Nikolai Schubert, 75–81, expert-Verlag. 
Bertótiné Abai, A.; Zengel, D.; Janzer, C.; Maier, L.; Grunwaldt, J.-D.; Olzmann, M.; Deutschmann, O. (2021). Effect of NO₂ on Gas-Phase Reactions in Lean NOₓ/NH₃/O₂/H₂O Mixtures at Conditions Relevant for Exhaust Gas Aftertreatment. Automotive Technical Papers, SAE International. doi:10.4271/2021-01-5005
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J.; Triantafyllidis. K. S. (2021). Progress in the anhydrous production of oxymethylene ether (OME) as a renewable diesel fuel in a liquid phase process. 5th EuChemS Conference on Green and Sustainable Chemistry, 26 - 29 September, 2021, Virtual Conference, Conference Proceedings, 60–61. 
Fan, Y.; Hornung, U.; Dahmen, N. (2021). Challenges and strategies of hydrothermal liquefaction of sewage sludge. 29th European Biomass Conference and Exhibition, EUBCE 2021, 26th to 29th April 2021, Marseille & Online, 773–780. 
Fuchs, C.; Betz, M.; Arnold, U.; Sauer, J. (2021). Production of sustainable fuels by heterogeneously catalyzed oligomerization of C2-C4 olefins. 13th International Colloquium Fuels - Conventional and Future Energy for Automobiles : conference proceesings 2021 ; [Ostfildern, 15.-16.09.2021]. Ed.: Nikolai Schubert, 83–91, expert-Verlag. 
Göller, A.; Jungstand, B.; Dahmen, N.; Raffelt, K. (2021). Microwave spectroscopy for pyrolytic bio-slurries. 13th International Conference on Electromagnetic Wave Interaction with Water and Moist Substances (ISEMA), 1–6, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ISEMA49699.2021.9508275Full textFull text of the publication as PDF document
Sauer, J.; Kolb, T.; Pfeifer, P.; Müller-Langer, F.; Klemm, M.; Jürgens, S.; Peters, R.; Hadrich, M. J.; Schaadt, A.; Harnisch, F.; Zuberbühler, U. (2021). Synthetische Kraftstoffe - Technologien, Prozessketten, Kohlenstoffquellen und Produkte. FVEE-Jahrestagung 2020, 43–47, ForschungsVerbund Erneuerbare Energien (FVEE). 
Schmitt, C. C.; Moreira, R.; Raffelt, K.; Hoj, M.; Jensen, A. D.; Grunwaldt, J.-D.; Dahmen, N. (2021). Evaluation of nickel-based catalysts for hydrotreatment of bio-oil model compound mixtures in a continuous flow reactor: Selectivity and resistance to sulfur poisoning. European Biomass Conference and Exhibition Proceedings, 29th European Biomass Conference and Exhibition, EUBCE 2021, Virtual, Online, 26 April 2021 - 29 April 2021, 934–941, ETA-Florence Renewable Energies. 
Reports/Preprints
Heinzmann, P.; Glöser-Chahoud, S.; Dahmen, N.; Langenmayr, U.; Schultmann, F. (2021). Techno-ökonomische Bewertung der Produktion regenerativer synthetischer Kraftstoffe. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000140638Full textFull text of the publication as PDF document
Presentations
Bagheri, M.; Stumpf, B.; Roisman, I.; Wörner, M.; Marschall, H. (2021, January 14). Phase-Field Simulation of Drop Impact On a Liquid Film : The Critical Role of Interfacial Mixing Energy. 14th World Congress on Computational Mechanics (WWCM 2020) - 8th European Congress on Computational Methods in Applie Sciences (ECCOMAS 2020) (2021), Online, January 11–15, 2021. Full textFull text of the publication as PDF document
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Wörner, M.; Marschall, H. (2021, March 10). Computational analysis of crown formation during drop impact onto a liquid film with experimental validation. Jahrestreffen der ProcessNet Fachgruppen Mehrphasenströmung (MPH) und Computational Fluid Dynamics (CFD 2021), Paderborn, Germany, March 9–10, 2021. Full textFull text of the publication as PDF document
Dahmen, N.; Koch, T.; Rauch, R.; Sauer, J.; Toedter, O. (2021, January 18). Advanced fuels for the existing fleet – Results from the reFuels project. 18th International Conference on Renewable Mobility "Fuels of the Future" (2021), Online, January 18–22, 2021. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2021). Advances in production and design of oxymethylene ether (OME) fuels. 9th International Conference Fuel Science - From Production to Propulsion (2021), Online, June 22–24, 2021. 
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J.; Triantafyllidis. K. S. (2021). Progress in the anhydrous production of oxymethylene ether (OME) as a renewable diesel fuel in a liquid phase process. 5th EuChemS Conference on Green and Sustainable Chemistry (2021), Online, September 26–29, 2021. 
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2021, March 19). Tracking the structure of Pt single sites on CeO₂ and their CO, C₃H₆ and CH₄ oxidation activity. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Neukum, D.; Schade, O.; Grunwaldt, J.-D.; Saraçi, E. (2021, November 18). Oxidative esterification of HMF with and without base to renewable monomers with supported gold catalysts. 6th Green and Sustainable Chemistry Conference (2021), Online, November 16–18, 2021. 
Treu, P.; Huber, P.; Plessow, P. N.; Saraçi, E. (2021, November 16). Bio-derived terephthalic acid precursors via the Diels-Alder reaction of isoprene and acrylate over solid Lewis acid Sn-BEA. 6th Green and Sustainable Chemistry Conference (2021), Online, November 16–18, 2021. 
Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Unravelling the Pore Structure of a Ni/Al₂O₃ Catalyst by Tomography. 23rd JCF Frühjahrssymposium (2021), Online, March 29–April 1, 2021. 
Weber, S.; Batey, D.; Cipiccia, S.; Sheppard, T. L. (2021, August 29). X-ray Nanotomography Reveals Coking of Nickel-based Catalysts Spatially-Resolved in 3D. GDCh-Wissenschaftsforum Chemie : Chemists create solutions (WiFo 2021), Online, August 29–September 1, 2021. 
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kulkarni, S.; Keller, T.; Gläser, R.; Sheppard, T. L. (2021, August 13). Following Calcination and Porosity Evolution with Nanometer Resolution by Ptychographic X-ray Microscopy. 104th IUPAC CCCE 2021 - 104th Canadian Chemistry Conference and Exhibition : Solving Global Challenges with Chemistry (IUPAC | CCCE 2021), Online, August 13–20, 2021. 
Weber, S.; Sheppard, T. L. (2021, January). Demanding Sample Environment and Preparation for in situ Ptychographic X-ray Microscopy Studies of Nickel-based Methanation Catalysts. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2021), Online, January 25–29, 2021. 
Posters
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2021). Zeolite-catalyzed production of OME in an anhydrous liquid phase process. Annual Meeting on Reaction Engineering (2021), Online, May 10–12, 2021. 
Eggart, D.; Huang, X.; Zimina, A.; Pan, X.; Grunwaldt, J.-D. (2021, March 17). Platinum doped ceria catalysts for direct conversion of methane. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Perret, L.; Dominke, X.; Stoll, I. K.; Boukis, N.; Sauer, J. (2021, April). Efficiency enhancement of synthesis gas fermentation with Clostridium ljungdahlii by the use of cell retention in a contin-uously operated stirred tank reactor (CSTR). 29th European Biomass Conference and Exhibition (EUBCE 2021), Online, April 20–29, 2021. 
Samkhaniani, N.; Stroh, A.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2021, March 10). Drop impingement on heated hydrophobic surfaces. Jahrestreffen der ProcessNet-Fachgruppen "Abfallbehandlung und Wertstoffrückgewinnung, Energieverfahrenstechnik, Gasreinigung, Hochtemperaturtechnik, Rohstoffe" (2017), Frankfurt am Main, Germany, March 21–23, 2017. Full textFull text of the publication as PDF document
Saraci, E.; Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Barcikowski, S.; Grunwaldt, J.-D. (2021, March). Selective Aerobic Oxidation of 5-(Hydroxymethyl)furfural over Silver-Gold Alloyed Nanoparticle Catalysts. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L. (2021, March). Porosity and Structural Analysis of a Hierarchical Porous Ni/Al₂O₃ Catalyst for CO₂ Methanation. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Schunk, S. (2021, March 19). Novel Plasma Synthesis of Mayenite-based Electrides and their Catalytic Application for Ammonia Synthesis. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Sheppard, T. L. (2021, February). Porosity Analysis of Ni/Al₂O₃ Catalysts by Multi-scale Tomography. 5th Annual Workshop on Advances in X-ray Imaging (2021), Online, February 1–2, 2021. 
Research Data
2020
PhD Theses
Schuler, J. (2020, March 2). Hydrothermal liquefaction of lignin. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000117444Full textFull text of the publication as PDF document
Journal Articles
Alhnidi, M.-J.; Wüst, D.; Funke, A.; Hang, L.; Kruse, A. (2020). Fate of Nitrogen, Phosphate, and Potassium during Hydrothermal Carbonization and the Potential for Nutrient Recovery. ACS sustainable chemistry & engineering, 8 (41), 15507–15516. doi:10.1021/acssuschemeng.0c04229
Amsharov, K.; Sharapa, D. I.; Vasilyev, O. A.; Oliver, M.; Hauke, F.; Goerling, A.; Soni, H.; Hirsch, A. (2020). Fractal-seaweeds type functionalization of graphene. Carbon, 158, 435–448. doi:10.1016/j.carbon.2019.11.008
Amsler, J.; Sarma, B. B.; Agostini, G.; Prieto, G.; Plessow, P. N.; Studt, F. (2020). Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts. Journal of the American Chemical Society, 142 (11), 5087–5096. doi:10.1021/jacs.9b12171
Anca-Couce, A.; Tsekos, C.; Retschitzegger, S.; Zimbardi, F.; Funke, A.; Banks, S.; Kraia, T.; Marques, P.; Scharler, R.; Jong, W. de; Kienzl, N. (2020). Biomass pyrolysis TGA assessment with an international round robin. Fuel, 276, Art. Nr.: 118002. doi:10.1016/j.fuel.2020.118002Full textFull text of the publication as PDF document
Araujo-Lopez, E.; Vandegehuchte, B. D.; Curulla-Ferré, D.; Sharapa, D. I.; Studt, F. (2020). Trends in the Activation of Light Alkanes on Transition-Metal Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (50), 27503–27510. doi:10.1021/acs.jpcc.0c08076
Araujo-Lopez, E.; Joos, L.; Vandegehuchte, B. D.; Sharapa, D. I.; Studt, F. (2020). Theoretical Investigations of (Oxidative) Dehydrogenation of Propane to Propylene over Palladium Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (5), 3171–3176. doi:10.1021/acs.jpcc.9b11424
Arvidsson, A. A.; Plessow, P. N.; Studt, F.; Hellman, A. (2020). Influence of Acidity on the Methanol-to-DME Reaction in Zeotypes: A First Principles-Based Microkinetic Study. The journal of physical chemistry <Washington, DC> / C, 124 (27), 14658–14663. doi:10.1021/acs.jpcc.0c03125
Börnhorst, M.; Kuntz, C.; Tischer, S.; Deutschmann, O. (2020). Urea derived deposits in diesel exhaust gas after-treatment: Integration of urea decomposition kinetics into a CFD simulation. Chemical engineering science, 211, Article No.115319. doi:10.1016/j.ces.2019.115319
Bulsink, P.; Mercader, M. F. D.; Sandström, L.; Van de Beld, B.; Preto, F.; Zacher, A.; Oasmaa, A.; Dahmen, N.; Funke, A.; Bronson, B. (2020). Results of the International Energy Agency Bioenergy Round Robin on the Analysis of Heteroatoms in Biomass Liquefaction Oils. Energy & fuels, 34 (9), 11123–11133. doi:10.1021/acs.energyfuels.0c02090Full textFull text of the publication as PDF document
Chou, C. W.; Collopy, A. L.; Kurz, C.; Lin, Y.; Harding, M. E.; Plessow, P. N.; Fortier, T.; Diddams, S.; Leibfried, D.; Leibrandt, D. R. (2020). Frequency-comb spectroscopy on pure quantum states of a single molecular ion. Science, 367 (6485), 1458–1461. doi:10.1126/science.aba3628
Dörnhöfer, J.; Börnhorst, M.; Ates, C.; Samkhaniani, N.; Pfeil, J.; Wörner, M.; Koch, R.; Bauer, H.-J.; Deutschmann, O.; Frohnapfel, B.; Koch, T. (2020). A Holistic View on Urea Injection for NOx Emission Control: Impingement, Re-atomization, and Deposit Formation. Emission control science and technology, 6, 228–243. doi:10.1007/s40825-019-00151-0
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/D0CY00553CFull textFull text of the publication as PDF document
Feofanov, M.; Akhmetov, V.; Sharapa, D. I.; Amsharov, K. (2020). Modular Approach to the Synthesis of Two-Dimensional Angular Fused Acenes. Organic letters, 22 (5), 1698–1702. doi:10.1021/acs.orglett.9b04382
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/D0CP01506GFull textFull text of the publication as PDF document
Giehr, A.; Maier, L.; Angeli, S.; Schunk, S. A.; Deutschmann, O. (2020). Dry and Steam Reforming of CH on Co-Hexaaluminate: On the Formation of Metallic Co and Its Influence on Catalyst Activity. Industrial & engineering chemistry research, 59 (42), 18790–18797. doi:10.1021/acs.iecr.0c03522
Hähsler, M.; Zimmermann, M.; Heißler, S.; Behrens, S. (2020). Sc-doped barium hexaferrite nanodiscs: Tuning morphology and magnetic properties. Journal of magnetism and magnetic materials, 500, Article No.166349. doi:10.1016/j.jmmm.2019.166349
Hähsler, M.; Landers, J.; Nowack, T.; Salamon, S.; Zimmermann, M.; Heißler, S.; Wende, H.; Behrens, S. (2020). Magnetic Properties and Mössbauer Spectroscopy of Fe3O4/CoFe2O4 Nanorods. Inorganic chemistry, 59 (6), 3677–3685. doi:10.1021/acs.inorgchem.9b03267
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.0c01580Full textFull text of the publication as PDF document
Heinz, W. R.; Agirrezabal-Telleria, I.; Junk, R.; Berger, J.; Wang, J.; Sharapa, D. I.; Gil-Calvo, M.; Luz, I.; Soukri, M.; Studt, F.; Wang, Y.; Wöll, C.; Bunzen, H.; Drees, M.; Fischer, R. A. (2020). Thermal Defect Engineering of Precious Group Metal–Organic Frameworks: A Case Study on Ru/Rh-HKUST-1 Analogues. ACS applied materials & interfaces, 12 (36), 40635–40647. doi:10.1021/acsami.0c10721Full textFull text of the publication as PDF document
Lappalainen, J.; Baudouin, D.; Hornung, U.; Schuler, J.; Melin, K.; Bjelić, S.; Vogel, F.; Konttinen, J.; Joronen, T. (2020). Sub- and Supercritical Water Liquefaction of Kraft Lignin and Black Liquor Derived Lignin. Energies, 13 (13), Article: 3309. doi:10.3390/en13133309Full textFull text of the publication as PDF document
Li, Z.; Song, C.; Li, J.; Liang, G.; Rao, L.; Yu, S.; Ding, X.; Tang, Y.; Yu, B.; Ou, J.; Lemmer, U.; Gomard, G. (2020). Highly Efficient and Water-Stable Lead Halide Perovskite Quantum Dots Using Superhydrophobic Aerogel Inorganic Matrix for White Light-Emitting Diodes. Advanced materials technologies, 5 (2), Article: 1900941. doi:10.1002/admt.201900941
Liu, C.-Y.; Struwe, K.; Lee, C.-H.; Chuang, H.-Y.; Sauer, J.; Yu, J. C.-C.; Nguyen, V.-H.; Huang, C.-W.; Wu, J. C. S. (2020). Ethanol conversion to selective high-value hydrocarbons over Ni/HZSM-5 zeolite catalyst. Catalysis communications, 144, 106067. doi:10.1016/j.catcom.2020.106067
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/C9RE00493AFull textFull text of the publication as PDF document
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.2020.119244Full textFull text of the publication as PDF document
Lustemberg, P. G.; Plessow, P. N.; Wang, Y.; Yang, C.; Nefedov, A.; Studt, F.; Wöll, C.; Ganduglia-Pirovano, M. V. (2020). Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Physical review letters, 125 (25), Art.-Nr.: 256101. doi:10.1103/PhysRevLett.125.256101Full textFull text of the publication as PDF document
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.