Institute of Catalysis Research and Technology (IKFT)

Publications


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. 
Journal Articles
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
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/catal11040459Full 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
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. doi:10.1002/cite.202000226
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, acs.jpcc.0c11246. 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
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. doi:10.1039/D1CC00681A
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
Fan, Y.; Fonseca, F. G.; Gong, M.; Hoffmann, A.; Hornung, U.; Dahmen, N. (2021). Energy valorization of integrating lipid extraction and hydrothermal liquefaction of lipid-extracted sewage sludge. Journal of cleaner production, 285, Art.Nr. 124895. doi:10.1016/j.jclepro.2020.124895
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
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
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
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
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
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
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.0c03561
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
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, cctc.202100054. doi:10.1002/cctc.202100054
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
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.2021.01.038
Presentations
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. 
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. 
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.; 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
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. 
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. 
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.; 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
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
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
Boronin, A. I.; Slavinskaya, E.; Kibis, L.; Stonkus, O.; Svintsitskiy, D.; Stadnichenko, A.; Fedorova, E.; Romanenko, A.; Marchuk, V.; Doronkin, D. (2020). The effects of platinum dispersion and Pt state on catalytic properties of Pt/Al2O3 in NH3 oxidation. ChemCatChem, cctc.202001320. doi:10.1002/cctc.202001320
Bulsink, P.; De Miguel Mercader, F.; 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.0c02090
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.; 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/D0CY00553CFull textFull text of the publication as PDF document
Fan, Y.; Hornung, U.; Raffelt, K.; Dahmen, N. (2020). The influence of lipids on the fate of nitrogen during hydrothermal liquefaction of protein-containing biomass. Journal of analytical and applied pyrolysis, 147, Art. Nr.: 104798. doi:10.1016/j.jaap.2020.104798
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.; 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
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
Han, S.; Zhao, D.; Lund, H.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Gao, M.; Jiang, G.; Kondratenko, E. V. (2020). TiO2-supported catalysts with ZnO and ZrO2 for non-oxidative dehydrogenation of propane: mechanistic analysis and application potentia. Catalysis science & technology. 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, acscatal.0c01580. doi:10.1021/acscatal.0c01580
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.0c10721
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. (2020). In situ probing of Pt/TiO2 activity in low-temperature ammonia oxidation. Catalysis science & technology. doi:10.1039/d0cy01533d
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
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
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
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, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244
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.125.256101
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2020). Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2. Nature catalysis. doi:10.1038/s41929-020-00508-7Full textFull text of the publication as PDF document
Michler, T.; Wippermann, N.; Toedter, O.; Niethammer, B.; Otto, T.; Arnold, U.; Pitter, S.; Koch, T.; Sauer, J. (2020). Gasoline from the bioliq® process: Production, characterization and performance. Fuel processing technology, 206, Article no: 106476. doi:10.1016/j.fuproc.2020.106476
Müller, S.; Zimina, A.; Steininger, R.; Flessau, S.; Osswald, J.; Grunwaldt, J.-D. (2020). High stability of Rh oxide-based thermoresistive catalytic combustion sensors proven by operando XAS and XRD. ACS sensors, 5 (8), 2486–2496. doi:10.1021/acssensors.0c00712
Neves, R. C.; Klein, B. C.; da Silva, R. J.; Rezende, M. C. A. F.; Funke, A.; Olivarez-Gómez, E.; Bonomi, A.; Maciel-Filho, R. (2020). A vision on biomass-to-liquids (BTL) thermochemical routes in integrated sugarcane biorefineries for biojet fuel production. Renewable & sustainable energy reviews, 119, Art.-Nr. 109607. doi:10.1016/j.rser.2019.109607
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
Perilli, D.; Di Valentin, C.; Studt, F. (2020). Can Single Metal Atoms Trapped in Defective h-BN/Cu(111) Improve Electrocatalysis of the H Evolution Reaction?. The journal of physical chemistry <Washington, DC> / C, 124 (43), 23690–23698. doi:10.1021/acs.jpcc.0c06750
Plessow, P. N.; Studt, F. (2020). How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?. The journal of physical chemistry letters, 11 (11), 4305–4310. doi:10.1021/acs.jpclett.0c01240
Polierer, S.; Guse, D.; Wild, S.; Herrera Delgado, K.; Otto, T. N.; Zevaco, T. A.; Kind, M.; Sauer, J.; Studt, F.; Pitter, S. (2020). Enhanced Direct Dimethyl Ether Synthesis from CO-Rich Syngas with Cu/ZnO/ZrO Catalysts Prepared by Continuous Co-Precipitation. Catalysts, 10 (8), Article: 816. doi:10.3390/catal10080816Full textFull text of the publication as PDF document
Rai, R. K.; Awasthi, M. K.; Singh, V. K.; Barman, S. R.; Behrens, S.; Singh, S. K. (2020). Aqueous Phase Semihydrogenation of Alkynes over Ni-Fe Bimetallic Catalysts. Catalysis science & technology, 10 (15), 4968–4980. doi:10.1039/D0CY01153C
Sarma, B. B.; Plessow, P. N.; Agostini, G.; Concepción, P.; Pfänder, N.; Kang, L.; Wang, F. R.; Studt, F.; Prieto, G. (2020). Metal-Specific Reactivity in Single-Atom Catalysts: CO Oxidation on 4d and 5d Transition Metals Atomically Dispersed on MgO. Journal of the American Chemical Society, 142 (35), 14890–14902. doi:10.1021/jacs.0c03627
Sarma, B. B.; Kim, J.; Amsler, J.; Agostini, G.; Weidenthaler, C.; Pfänder, N.; Arenal, R.; Concepción, P.; Plessow, P.; Studt, F.; Prieto, G. (2020). One-Pot Cooperation of Single-Atom Rh and Ru Solid Catalysts for a Selective Tandem Olefin Isomerization-Hydrosilylation Process. Angewandte Chemie / International edition, 59 (14), 5806–5815. doi:10.1002/anie.201915255Full textFull text of the publication as PDF document
Schade, O.; Dolcet, P.; Nefedov, A.; Huang, X.; Saraçi, E.; Wöll, C.; Grunwaldt, J.-D. (2020). The Influence of the Gold Particle Size on the Catalytic Oxidation of 5-(Hydroxymethyl)furfural. Catalysts, 10 (3), Article: 342. doi:10.3390/catal10030342Full textFull text of the publication as PDF document
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.202001003Full textFull text of the publication as PDF document
Schmitt, C. C.; Moreira, R.; Neves, R. C.; Richter, D.; Funke, A.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2020). From agriculture residue to upgraded product: The thermochemical conversion of sugarcane bagasse for fuel and chemical products. Fuel processing technology, 197, Article: 106199. doi:10.1016/j.fuproc.2019.106199Full textFull text of the publication as PDF document
Schropp, A.; Döhrmann, R.; Botta, S.; Brückner, D.; Kahnt, M.; Lyubomirskiy, M.; Ossig, C.; Scholz, M.; Seyrich, M.; Stuckelberger, M. E.; Wiljes, P.; Wittwer, F.; Garrevoet, J.; Falkenberg, G.; Fam, Y.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G. (2020). PtyNAMi: ptychographic nano-analytical microscope. Journal of applied crystallography, 53 (4), 957–971. doi:10.1107/S1600576720008420Full textFull text of the publication as PDF document
Şen, A. U.; Fonseca, F. G.; Funke, A.; Pereira, H.; Lemos, F. (2020). Pyrolysis kinetics and estimation of chemical composition of Quercus cerris cork. Biomass Conversion and Biorefinery. doi:10.1007/s13399-020-00964-y
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/D0CY01396JFull textFull text of the publication as PDF document
Smitshuysen, T. E. L.; Nielsen, M. R.; Pruessmann, T.; Zimina, A.; Sheppard, T. L.; Grunwaldt, J.-D.; Chorkendorff, I.; Damsgaard, C. D. (2020). Optimizing Ni-Fe-Ga alloys into Ni2FeGa for the hydrogenation of CO2 into methanol. ChemCatChem, 12 (12), 3265–3273. doi:10.1002/cctc.202000174
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/app10144699Full textFull text of the publication as PDF document
Steiner, A.; Sharapa, D. I.; Troyanov, S. I.; Nuss, J.; Amsharov, K. (2020). Carbon Origami via an Alumina-Assisted Cyclodehydrofluorination Strategy. Chemistry - A European Journal, 2021 (27), 1–8. doi:10.1002/chem.202003448Full textFull text of the publication as PDF document
Świątek, K.; Gaag, S.; Klier, A.; Kruse, A.; Sauer, J.; Steinbach, D. (2020). Acid hydrolysis of lignocellulosic biomass: Sugars and furfurals formation. Catalysts, 10 (4), Article no: 437. doi:10.3390/catal10040437Full textFull text of the publication as PDF document
Thrän, D.; Bauschmann, M.; Dahmen, N.; Erlach, B.; Heinbach, K.; Hirschl, B.; Hildebrand, J.; Rau, I.; Majer, S.; Oehmichen, K.; Schweizer-Ries, P.; Hennig, C. (2020). Bioenergy beyond the German “Energiewende”–Assessment framework for integrated bioenergy strategies. Biomass and bioenergy, 142, Art.-Nr.: 105769. doi:10.1016/j.biombioe.2020.105769
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.202000407Full textFull text of the publication as PDF document
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/C9CY02210DFull textFull text of the publication as PDF document
Wang, W.; Sharapa, D. I.; Chandresh, A.; Nefedov, A.; Heißler, S.; Heinke, L.; Studt, F.; Wang, Y.; Wöll, C. (2020). Interplay of Electronic and Steric Effects to Yield Low‐Temperature CO Oxidation at Metal Single Sites in Defect‐Engineered HKUST‐1. Angewandte Chemie / International edition, 59 (26), 10514–10518. doi:10.1002/anie.202000385Full textFull text of the publication as PDF document
Wan, S.; Torkashvand, B.; Häber, T.; Suntz, R.; Deutschmann, O. (2020). Investigation of HCHO Catalytic Oxidation over Platinum using Planar Laser-Induced Fluorescence. Applied catalysis / B, 264, Article: 118473. doi:10.1016/j.apcatb.2019.118473
Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L. (2020). Porosity and Structure of Hierarchically Porous Ni/Al₂O₃ Catalysts for CO₂ Methanation. Catalysts, 10 (12), Art. Nr.: 1471. doi:10.3390/catal10121471Full textFull text of the publication as PDF document
Weiss, C.; Sharapa, D. I.; Hirsch, A. (2020). Coronenohelicenes with Dynamic Chirality. Chemistry - a European journal, 26 (62), 14100–14108. doi:10.1002/chem.202001703Full textFull text of the publication as PDF document
Wodarz, S.; Slaby, N. A.; Zimmermann, M. C.; Otto, T. N.; Holzinger, J.; Skibsted, J.; Zevaco, T. A.; Pitter, S.; Sauer, J. (2020). Shaped Hierarchical H-ZSM-5 Catalysts for the Conversion of Dimethyl Ether to Gasoline. Industrial & engineering chemistry research, 59 (40), 17689–17707. doi:10.1021/acs.iecr.9b06256
Yang, X.; Kahnt, M.; Brückner, D.; Schropp, A.; Fam, Y.; Becher, J.; Grunwaldt, J.-D.; Sheppard, T. L.; Schroer, C. G. (2020). Tomographic reconstruction with a generative adversarial network. Journal of synchrotron radiation, 27 (2), 486–493. doi:10.1107/S1600577520000831Full textFull text of the publication as PDF document
Yu, J.; Yang, M.; Zhang, J.; Ge, Q.; Zimina, A.; Pruessmann, T.; Zheng, L.; Grunwaldt, J.-D.; Sun, J. (2020). Stabilizing Cu in Cu/SiO Catalysts with a Shattuckite-Like Structure Boosts CO2 Hydrogenation into Methanol. ACS catalysis, 10 (24), 14694–14706. doi:10.1021/acscatal.0c04371
Zakutanská, K.; Feoktystov, A.; Lacková, V.; Tomašovičová, N.; Appel, I.; Behrens, S.; Kopčanský, P. (2020). SANS Study of Liquid Crystal Doped with CoFeO Nanoparticles. Acta physica Polonica / A, 137 (5), 663–666. doi:10.12693/APhysPolA.137.663
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)63445-5Full textFull text of the publication as PDF document
Zimmermann, R.; Siebert, M.; Ibrahimkutty, S.; Dittmeyer, R.; Armbrüster, M. (2020). Intermetallic GaPd Thin Films for Selective Hydrogenation of Acetylene. Zeitschrift für anorganische und allgemeine Chemie, 646 (14), 1218–1226. doi:10.1002/zaac.202000124Full textFull text of the publication as PDF document
Conference Papers
Arnold, U.; Drexler, M.; Haltenort, P.; Sauer, J. (2020). Catalytic (trans)acetalization reactions for the production of oxymethylene ether (OME) fuels. Fuel Science - From Production to Propulsion : 8th International Conference, June 23 to 25, 2020, Online ; Book of Abstracts ; #fuelscience2020, 53–55, The Fuel Science Center (FSC). 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Oxymethylene ethers (OMEs) as diesel fuels: State of the art and perspectives. DGMK-Conference The Future of Chemicals and Fuels – Feedstocks and Process Technologies, October 7-9, 2020, Web Conference, Deutsche Wissenschaftliche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK). 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Production of oxymethylene ether as renewable liquid fuel in an anhydrous process. 3rd Doctoral Colloquium Bioenergy : Leipzig, September 17-18, 2020, Web Conference, Book of Abstracts, 126–127, Deutsches Biomasseforschungszentrum (DBFZ). 
Guo, B.; Frey, W.; Hornung, U.; Dahmen, N. (2020). Biorefinery of Microalgae via Combination of Pulsed Electric Field Treatment and Hydrothermal Liquefaction - A Techno-Economic Assessment. 28th European Biomass Conference and Exhibition Proceedings, EUBCE 2020, 526–529, ETA-Florence Renewable Energies. doi:10.5071/28thEUBCE2020-3BO.3.4
Toedter, O.; Dahmen, N.; Wagner, U.; Scheer, D.; Koch, T.; Sauer, J. (2020). reFuels - rethinking Fuels for CO2 neutral mobility. SIA 2020 digital Powertain & Energy. 
Presentations
Arnold, U.; Drexler, M.; Haltenort, P.; Sauer, J. (2020). Catalytic (trans)acetalization reactions for the production of oxymethylene ether (OME) fuels. 8th International Conference Fuel Science - From Production to Propulsion (2020), Online, June 23–25, 2020. 
Doronkin, D. E. (2020, January 30). QEXAFS-XRD combination at P64, and the high temperature setup at P65. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Bähr, J.; Raffelt, K. (2020, September 28). FT2.3 Verlinkung entlang der Prozesskette "Thermochemische Biomasse-Konversion". (M. Eberhard, Ed.), Abschlusskonferenz Energie System 2050 (2020), Berlin, Germany, September 28–29, 2020. Full textFull text of the publication as PDF document
Kornatz, P.; Daniel-Gromke, J.; Thrän, D.; Krautkremer, B.; Mercker, O.; Laub, K.; Matschoss, P.; Musonda, F.; Dahmen, N.; Rösch, C.; Musonda, F. (2020). Bioenergie als intelligenter Baustein für ein nachhaltiges europäisches Energiesystem. FVEE-Jahrestagung (2020 2020), Berlin, Germany, November 2–4, 2020. 
Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, October 12). Simulation of droplet impact at high dynamics using a diffuse interface phase-field methods in OpenFOAM. International Conference on Advances in Differential Equations and Numerical Analysis (ADENA 2020), Online, October 12–15, 2020. Full textFull text of the publication as PDF document
Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, June 25). Development and Deployment of Diffuse Interface Phase-Field Methods In Openfoam. 15 OpenFOAM Workshop (2020), Online, June 22–26, 2020. Full textFull text of the publication as PDF document
Samkhaniani, N.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2020, March 11). Reproducing the rich physics of drop impingement experiments on hydrophobic surfaces by phase field simulations. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Germany, March 10–11, 2020. 
Sheppard, T. L. (2020, January 30). Sample cells for X-ray ptychography and nanotomography - towards operando chemical imaging of catalysts andfunctional materials. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Straczewski, G.; Garbev, K.; Leibold, H.; Vargas, C.; Zampieri, A.; Dahmen, N. (2020, March 10). Totaloxidation von Kohlenmonoxid und VOCs mit katalytischen Keramik-Filterkerzen. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Germany, March 10–11, 2020. Full textFull text of the publication as PDF document
Posters
Bagheri, M.; Marschall, H.; Wörner, M. (2020, March 9). Interface-resolving simulation of droplet impact on liquid film of the same fluids using the phase-field method. 715. WE-Heraeus Seminar (2020), Bad Honnef, Germany, March 8–12, 2020. Full textFull text of the publication as PDF document
Doronkin, D. E.; Marchuk, V.; Casapu, M.; Grunwaldt, J.-D. (2020, January 30). Operando XAS study of Pt catalysts for selective oxidation of ammonia. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Doronkin, D. E.; Zimina, A.; Serrer, M.-A.; Pruessmann, T.; Grunwaldt, J.-D. (2020, January 29). Operando X-ray Absorption Spectroscopy (XAS) under industrially relevant conditions at the CAT-ACT beamline. GeCatS Infoday "Operando Spectroscopy in Catalysis – Time to Implement this Methodology in Industry" (2020), Frankfurt am Main, Germany, January 29, 2020. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Oxymethylene ethers (OMEs) as diesel fuels: State of the art and perspectives. DGMK-Conference The Future of Chemicals and Fuels – Feedstocks and Process Technologies (2020), Online, October 8, 2020. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Production of oxymethylene ether as renewable liquid fuel in an anhydrous process. 3rd Doctoral Colloquium BIOENERGY (2020), Online, September 14–18, 2020. 
Marchuk, V.; Doronkin, D.; Grunwaldt, J.-D. (2020, January 28). Operando QEXAFS study of ammonia slip catalysts during realistic driving cycles. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2021), Online, January 25–29, 2021. 
Wörner, M. (2020, September 24). Hydrodynamische Charakterisierung der Taylorströmung in kreisförmigen Kapillaren auf Basis vorab bekannter Parameter. 10. ProcessNet-Jahrestagung und 34. DECHEMA-Jahrestagung der Biotechnologen (2020), Online, September 21–24, 2020. Full textFull text of the publication as PDF document
Zimina, A.; Pruessmann, T.; Doronkin, D. E.; Grunwaldt, J.-D. (2020, January 29). CAT-ACT - A highly versatile X-ray spectroscopy beamline for catalysis science at KIT. GeCatS Infoday "Operando Spectroscopy in Catalysis – Time to Implement this Methodology in Industry" (2020), Frankfurt am Main, Germany, January 29, 2020. 
Research Data
Becher, J.; Ferreira Sanchez, D. D., Dmitry; Zengel, D.; Motta Meira, D. P., Sakura; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 300°C dataset. doi:10.5445/IR/1000122890
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: NO + O2 @ 200°C dataset. doi:10.5445/IR/1000122895
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: NH3 @ 200°C dataset. doi:10.5445/IR/1000122894
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 400°C dataset. doi:10.5445/IR/1000122893
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 350°C dataset. doi:10.5445/IR/1000122892
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 200°C dataset. doi:10.5445/IR/1000122874
Audio & Video
2019
Book Chapters
Arnold, U.; Haltenort, P.; Herrera Delgado, K.; Niethammer, B.; Sauer, J. (2019). Die Rolle von Dimethylether (DME) als Schlüsselbaustein synthetischer Kraftstoffe aus erneuerbaren Rohstoffen. Zukünftige Kraftstoffe : Energiewende des Transports als ein weltweites Klimaziel. Hrsg.: W. Maus, 532–561, Vieweg Verlag. doi:10.1007/978-3-662-58006-6_22
Journal Articles
Becher, J.; Sheppard, T. L.; Fam, Y.; Baier, S.; Wang, W.; Wang, D.; Kulkarni, S.; Keller, T. F.; Lyubomirskiy, M.; Brueckner, D.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019). Mapping the Pore Architecture of Structured Catalyst Monoliths from Nanometer to Centimeter Scale with Electron and X-ray Tomographies. The journal of physical chemistry <Washington, DC> / C, 123 (41), 25197–25208. doi:10.1021/acs.jpcc.9b06541Full textFull text of the publication as PDF document
Becker, G. C.; Wüst, D.; Köhler, H.; Lautenbach, A.; Kruse, A. (2019). Novel approach of phosphate-reclamation as struvite from sewage sludge by utilising hydrothermal carbonization. Journal of environmental management, 238, 119–125. doi:10.1016/j.jenvman.2019.02.121
Benel, C.; Fischer, A.; Zimina, A.; Steininger, R.; Kruk, R.; Hahn, H.; Léon, A. (2019). Controlling the structure and magnetic properties of cluster-assembled metallic glasses. Materials Horizons, 6 (4), 727–732. doi:10.1039/C8MH01013GFull textFull text of the publication as PDF document
Benzinger, W.; Daymo, E.; Hettel, M.; Maier, L.; Antinori, C.; Pfeifer, P.; Deutschmann, O. (2019). Reverse Water Gas Shift (RWGS) over Ni - Spatially-Resolved Measurements and Simulations. The chemical engineering journal, 362, 430–441. doi:10.1016/j.cej.2019.01.038
Blondal, K.; Jelic, J.; Mazeau, E.; Studt, F.; West, R. H.; Goldsmith, F. C. (2019). Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum. Industrial & engineering chemistry, 58 (38), 17682–17691. doi:10.1021/acs.iecr.9b01464
Börnhorst, M.; Cai, X.; Wörner, M.; Deutschmann, O. (2019). Maximum Spreading of Urea Water Solution during Drop Impingement. Chemical engineering & technology, 42 (11), 2419–2427. doi:10.1002/ceat.201800755Full textFull text of the publication as PDF document
Carriel Schmitt, C.; Zimina, A.; Fam, Y.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2019). Evaluation of High-Loaded Ni-Based Catalysts for Upgrading Fast Pyrolysis Bio-Oil. Catalysts, 9 (9), Article: 784. doi:10.3390/catal9090784Full textFull text of the publication as PDF document
Dabros, T. M. H.; Andersen, M. L.; Lindahl, S. B.; Hansen, T. W.; Høj, M.; Gabrielsen, J.; Grunwaldt, J.-D.; Jensen, A. D. (2019). Hydrodeoxygenation (HDO) of aliphatic oxygenates and phenol over NiMo/MgAlO: Reactivity, inhibition, and catalyst reactivation. Catalysts, 9 (6), Art.-Nr.: 521. doi:10.3390/catal9060521Full textFull text of the publication as PDF document
Damergi, E.; Madi, H.; Sharma, S.; Boukis, N.; Marechal, F.; Van Herle, J.; Ludwig, C. (2019). A combined hydrothermal gasification - solid oxide fuel cell system for sustainable production of algal biomass and energy. Algal Research, 41, Art. Nr.: 101552. doi:10.1016/j.algal.2019.101552
Dietze, E. M.; Pleßow, P. N. (2019). Predicting the Strength of Metal–Support Interaction with Computational Descriptors for Adhesion Energies. The journal of physical chemistry <Washington, DC> / C, 123 (33), 20443–20450. doi:10.1021/acs.jpcc.9b06893
Dietze, E. M.; Pleßow, P. N.; Studt, F. (2019). Modeling the Size Dependency of the Stability of Metal Nanoparticles. The journal of physical chemistry <Washington, DC> / C, 123 (41), 25464–25469. doi:10.1021/acs.jpcc.9b06952
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.9b00804Full textFull text of the publication as PDF document
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/c8re00290hFull textFull text of the publication as PDF document
Fam, Y.; Sheppard, T. L.; Becher, J.; Scherhaufer, D.; Lambach, H.; Kulkarni, S.; Keller, T. F.; Wittstock, A.; Wittwer, F.; Seyrich, M.; Brueckner, D.; Kahnt, M.; Yang, X.; Schropp, A.; Stierle, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019). A versatile nanoreactor for complementary in situ X-ray and electron microscopy studies in catalysis and materials science. Journal of synchrotron radiation, 26 (5), 1769–1781. doi:10.1107/S160057751900660XFull textFull text of the publication as PDF document
Fonseca, F. G.; Funke, A.; Niebel, A.; Soares Dias, A. P.; Dahmen, N. (2019). Moisture content as a design and operational parameter for fast pyrolysis. Journal of analytical and applied pyrolysis, 139, 73–86. doi:10.1016/j.jaap.2019.01.012
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.9b02768Full textFull text of the publication as PDF document
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.8b04778Full textFull text of the publication as PDF document
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.201906256Full textFull text of the publication as PDF document
Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.; 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.201906256Full textFull text of the publication as PDF document
Goncalves, T. J.; Plessow, P. N.; Studt, F. (2019). On the Accuracy of Density Functional Theory in Zeolite Catalysis. ChemCatChem, 11 (17), 4368–4376. doi:10.1002/cctc.201900791
Goodman, E. D.; Johnston-Peck, A. C.; Dietze, E. M.; Wrasman, C. J.; Hoffman, A. S.; Abild-Pedersen, F.; Bare, S. R.; Plessow, P. N.; Cargnello, M. (2019). Catalyst deactivation via decomposition into single atoms and the role of metal loading. Nature catalysis, 2, 748–755. doi:10.1038/s41929-019-0328-1
Gudun, K. A.; Segizbayev, M.; Adamov, A.; Plessow, P. N.; Lyssenko, K. A.; Balanay, M. P.; Khalimon, A. Y. (2019). POCN Ni(II) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities. Dalton transactions, 48 (5), 1732–1746. doi:10.1039/C8DT04854A
Guo, B.; Yang, B.; Silve, A.; Akaberi, S.; Scherer, D.; Papachristou, I.; Frey, W.; Hornung, U.; Dahmen, N. (2019). Hydrothermal liquefaction of residual microalgae biomass after pulsed electric field-assisted valuables extraction. Algal Research, 43, 101650. doi:10.1016/j.algal.2019.101650
Horlamus, F.; Wang, Y.; Steinbach, D.; Vahidinasab, M.; Wittgens, A.; Rosenau, F.; Henkel, M.; Hausmann, R. (2019). Potential of biotechnological conversion of lignocellulose hydrolyzates by Pseudomonas putida KT2440 as a model organism for a bio‐based economy. Global change biology / Bioenergy, 11 (12), 1421–1434. doi:10.1111/gcbb.12647Full textFull text of the publication as PDF document
Jamshidi, F.; Heimel, H.; Hasert, M.; Cai, X.; Deutschmann, O.; Marschall, H.; Wörner, M. (2019). On suitability of phase-field and algebraic volume-of-fluid OpenFOAM® solvers for gas-liquid microfluidic applications. Computer physics communications, 236, 72–85. doi:10.1016/j.cpc.2018.10.015Full textFull text of the publication as PDF document
Kahnt, M.; Becher, J.; Brückner, D.; Fam, Y.; Sheppard, T.; Weissenberger, T.; Wittwer, F.; Grunwaldt, J.-D.; Schwieger, W.; Schroer, C. G. (2019). Coupled ptychography and tomography algorithm improves reconstruction of experimental data. Optica, 6 (10), 1282–1289. doi:10.1364/OPTICA.6.001282
Koch, T.; Sauer, J.; Toedter, O.; Hirth, T. (2019). reFuels - Notwendigkeit und Herausforderungen. Automobiltechnische Zeitschrift, 24 (S 2), 28–31. 
Kulsha, A. V.; Sharapa, D. I. (2019). Superhalogen and Superacid. Journal of computational chemistry, 40 (26), 2293–2300. doi:10.1002/jcc.26007
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/c8ta10922bFull textFull text of the publication as PDF document
Liu, S.; Zhao, Z.-J.; Yang, C.; Zha, S.; Neyman, K. M.; Studt, F.; Gong, J. (2019). Adsorption preference determines segregation direction: A shortcut to more realistic surface models of alloy catalysts. ACS catalysis, 9 (6), 5011–5018. doi:10.1021/acscatal.9b00499
Md Dostagir, S. N. H.; Awasthi, M. K.; Kumar, A.; Gupta, K.; Behrens, S.; Shrotri, A.; Singh, S. K. (2019). Selective Catalysis for Room-Temperature Hydrogenation of Biomass-Derived Compounds over Supported NiPd Catalysts in Water. ACS sustainable chemistry & engineering, 7 (10), 9352–9359. doi:10.1021/acssuschemeng.9b00486
Plessow, P. N.; Smith, A.; Tischer, S.; Studt, F. (2019). Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics. Journal of the American Chemical Society, 141 (14), 5908–5915. doi:10.1021/jacs.9b00585
Polierer, S.; Jelic, J.; Pitter, S.; Studt, F. (2019). On the Reactivity of the Cu/ZrO₂ System for the Hydrogenation of CO₂ to Methanol: A Density Functional Theory Study. The journal of physical chemistry <Washington, DC> / C, 123 (44), 26904–26911. doi:10.1021/acs.jpcc.9b06500
Rohde, V.; Böringer, S.; Tübke, B.; Adam, C.; Dahmen, N.; Schmiedl, D. (2019). Fractionation of three different lignins by thermal separation techniques - A comparative study. Global change biology / Bioenergy, 11 (SI, 1), 206–217. doi:10.1111/gcbb.12546Full textFull text of the publication as PDF document
Sánchez, F. A.; Ille, Y.; Dahmen, N.; Pereda, S. (2019). GCA-EOS extension to mixtures of phenol ethers and derivatives with hydrocarbons and water. Fluid phase equilibria, 490, 13–21. doi:10.1016/j.fluid.2019.02.017
Sauer, J.; Klemm, E. (2019). Beitrag der chemischen Reaktionstechnik zur Energiewende. Chemie - Ingenieur - Technik, 91 (5), 543. doi:10.1002/cite.201970052
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.201807381Full textFull text of the publication as PDF document
Soares Dias, A. P.; Rego, F.; Fonseca, F.; Casquilho, M.; Rosa, F.; Rodrigues, A. (2019). Catalyzed pyrolysis of SRC poplar biomass. Alkaline carbonates and zeolites catalysts. Energy, 183, 1114–1122. doi:10.1016/j.energy.2019.07.009
Steinbach, D.; Wüst, D.; Zielonka, S.; Krümpel, J.; Munder, S.; Pagel, M.; Kruse, A. (2019). Steam Explosion Conditions Highly Influence the Biogas Yield of Rice Straw. Molecules, 24 (19), Article: 3492. doi:10.3390/molecules24193492Full textFull text of the publication as PDF document
Stökle, K.; Hülsemann, B.; Steinbach, D.; Cao, Z.; Oechsner, H.; Kruse, A. (2019). A biorefinery concept using forced chicory roots for the production of biogas, hydrochar, and platform chemicals [in press]. Biomass Conversion and Biorefinery. doi:10.1007/s13399-019-00527-w
Stoll, I. K.; Boukis, N.; Neumann, A.; Ochsenreither, K.; Zevaco, T. A.; Sauer, J. (2019). The Complex Way to Sustainability: Petroleum-Based Processes versus Biosynthetic Pathways in the Formation of C4 Chemicals from Syngas. Industrial & engineering chemistry research, 58 (35), 15863–15871. doi:10.1021/acs.iecr.9b01123
Stotz, H.; Maier, L.; Boubnov, A.; Gremminger, A.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Surface reaction kinetics of methane oxidation over PdO. Journal of catalysis, 370, 152–175. doi:10.1016/j.jcat.2018.12.007
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.; 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.201901719Full textFull text of the publication as PDF document
Tischer, S.; Börnhorst, M.; Amsler, J.; Schoch, G.; Deutschmann, O. (2019). Thermodynamics and reaction mechanism of urea decomposition. Physical chemistry, chemical physics, 21 (30), 16785–16797. doi:10.1039/C9CP01529AFull textFull text of the publication as PDF document
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.9b00161Full textFull text of the publication as PDF document
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.2019.02.107Full textFull text of the publication as PDF document
Torkashvand, B.; Lott, P.; Zengel, D.; Maier, L.; Hettel, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Homogeneous oxidation of light alkanes in the exhaust of turbocharged lean-burn gas engines. The chemical engineering journal, 377, Article No.119800. doi:10.1016/j.cej.2018.08.186
Torkashvand, B.; Maier, L.; Hettel, M.; Schedlbauer, T.; Grunwaldt, J.-D.; Deutschmann, O. (2019). On the challenges and constrains of ultra-low emission limits: Formaldehyde oxidation in catalytic sinusoidal-shaped channels. Chemical engineering science, 195, 841–850. doi:10.1016/j.ces.2018.10.031
Walter, K. M.; Serrer, M.-A.; Kleist, W.; Grunwaldt, J.-D. (2019). Continuous production of higher alcohols from synthesis gas and ethanol using Cs-modified CuO/ZnO/AlO catalysts. Applied catalysis / A, 585, Art.-Nr.: 117150. doi:10.1016/j.apcata.2019.117150
Weissenberger, T.; Leonhardt, R.; Zubiri, B. A.; Pitínová-Štekrová, M.; Sheppard, T. L.; Reiprich, B.; Bauer, J.; Dotzel, R.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D.; Casci, J. L.; Čejka, J.; Spiecker, E.; Schwieger, W. (2019). Synthesis and Characterisation of Hierarchically Structured Titanium Silicalite-1 Zeolites with Large Intracrystalline Macropores. Chemistry - a European journal, 25 (63), 14430–14440. doi:10.1002/chem.201903287
Wüst, D.; Rodriguez Correa, C.; Suwelack, K. U.; Köhler, H.; Kruse, A. (2019). Hydrothermal carbonization of dry toilet residues as an added-value strategy – Investigation of process parameters. Journal of environmental management, 234, 537–545. doi:10.1016/j.jenvman.2019.01.005
Yu, S.; Fritz, B.; Johnsen, S.; Busko, D.; Richards, B. S.; Hippler, M.; Wiegand, G.; Tang, Y.; Li, Z.; Lemmer, U.; Hölscher, H.; Gomard, G. (2019). Enhanced Photoluminescence in Quantum Dots–Porous Polymer Hybrid Films Fabricated by Microcellular Foaming. Advanced optical materials, Article no: 1900223. doi:10.1002/adom.201900223
Zhao, Z.-J.; Liu, S.; Zha, S.; Cheng, D.; Studt, F.; Henkelman, G.; Gong, J. (2019). Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors. Nature reviews, 4 (12), 792–804. doi:10.1038/s41578-019-0152-x
Zimmermann, M. C.; Otto, T. N.; Wodarz, S.; Zevaco, T. A.; Pitter, S. (2019). Mesoporous H‐ZSM‐5 for the Conversion of Dimethyl Ether to Hydrocarbons. Chemie - Ingenieur - Technik, 91 (9), 1302–1313. doi:10.1002/cite.201800217Full textFull text of the publication as PDF document
Conference Papers
Arnold, U.; Betz, M.; Hackbarth, K.; Haltenort, P.; Klein, G.; Niethammer, B.; Sauer, J. (2019). From renewable resources to fuels - the role of alcohols. Fuels : conventional and future energy for automobiles. Hrsg. N. Schubert, 167–177, Technische Akademie Esslingen (TAE). 
Dahmen, N.; Zimmerlin, B.; Eberhard, M.; Lam, H.; Mai, R.; Michelfelder, B.; Niebel, A.; Otto, T.; Pfitzer, C.; Weih, N.; Willy, M.; Leibold, H.; Kolb, T.; Sauer, J.; Stapf, D. (2019). Bioliq®-pilot plant for the preparation of synthetic fuels-operating experience. 27th European Biomass Conference and Exhibition, EUBCE 2019; Lisbon; Portugal; 27 May 2019 through 30 May 2019. Ed.: N. Scarlat, 565–569, ETA-Florence Renewable Energies. 
Fonseca, F. G.; Funke, A.; Dahmen, N. (2019). Aspen plus™ modeling of fractional condensation schemes for production of fast pyrolysis bio-oil. 27th European Biomass Conference and Exhibition, EUBCE 2019; Lisbon; Portugal; 27 May 2019 through 30 May 2019, 1227–1233, ETA-Florence Renewable Energies. doi:10.5071/27thEUBCE2019-3BV.7.9
Fonseca, F. G.; Funke, A.; Saechua, W.; Sirisomboon, P. (2019). Precision test for the spectral characteristic of FT-NIR for the measurement of water content of wheat straw. 12th Thai Society of Agricultural Engineering International Conference, TSAE 2019: Pattaya, Thailand, 14-15 March 2019, Art.-Nr.: 012034, IOP Publishing. doi:10.1088/1755-1315/301/1/012034Full textFull text of the publication as PDF document
Guo, B.; Yang, B.; Silve, A.; Akaberi, S.; Scherer, D.; Papachristou, I.; Frey, W.; Hornung, U.; Dahmen, N. (2019). Hydrothermal liquefaction of valuables-extracted microalgae with help of pulsed electric field treatment. Proceedings of the 27th European Biomass Conference and Exhibition, 1127–1131, ETA-Florence Renewable Energies. doi:10.5071/27thEUBCE2019-3AV.4.3
Hennig, C.; Majer, S.; Oehmichen, K.; Hirschl, B.; Heinbach, K.; Dahmen, N.; Rau, I.; Hildebrand, J.; Schweizer-Ries, P.; Erlach, B.; Thrän, D. (2019). Assessment framework for integrated bioenergy strategies. 27th European Biomass Conference and Exhibition, EUBCE 2019; Lisbon; Portugal; 27 May 2019 through 30 May 2019, 1779–1780, ETA-Florence Renewable Energies. 
Niethammer, B.; Arnold, U.; Sauer, J. (2019). Modified catalysts for a low-aromatic Dimethyl ether-To-Gasoline process. Bridging Science with Technology : A Renaissance in Chemical Engineering., 1068–1069, AIDIC Servizi. 
Rosendahl, L. A.; Cocchi, M.; Iversen, S.; Heracleous, E.; Dallo, I. L.; Lercher, J.; Raffelt, K.; Sandquist, J.; Verdier, S.; Bianchi, D.; Hellings, B.; Grassi, A.; Momi, S. (2019). Sustainable drop-in transport fuels from hydrothermal liquefaction of low value urban feedstocks-nextgenroadfuels project. 27th European Biomass Conference and Exhibition, EUBCE 2019; Lisbon; Portugal; 27 May 2019 through 30 May 2019, 1166–1168, ETA-Florence Renewable Energies. 
Stoll, I. K.; Boukis, N.; Sauer, J. (2019). Syngas fermentation at elevated pressure – experimental results. 27th European Biomass Conference and Exhibition, EUBCE 2019; Lisbon; Portugal; 27 May 2019 through 30 May 2019, 1255–1261, ETA-Florence Renewable Energies. 
Stoll, I. K.; Boukis, N.; Sauer, J. (2019). Syngas fermentation at elevated pressure - experimental results. Proceedings of the 27th European Biomass Conference and Exhibition, 1255–1261. doi:10.5071/27thEUBCE2019-3CV.3.4
Toedter, O.; Wagner, U.; Koch, T.; Dahmen, N.; Pitter, S.; Sauer, J.; Scheer, D. (2019). Sector coupling established by the technology partnership reFuels - rethinking fuels. 12. International Colloquium Fuels, Esslingen, 25 - 26 Juni 2019, 5–10, Technische Akademie Esslingen (TAE). Full textFull text of the publication as PDF document
Yu, S.; Fritz, B.; Theobald, D.; Wu, K.; Johnsen, S.; Busko, D.; Richards, B. S.; Wiegand, G.; Tang, Y.; Li, Z.; Lemmer, U.; Holscher, H.; Gomard, G. (2019). Enhanced color conversion of quantum dots - polymer hybrid films in light emitting diodes. 20th International Conference on Electronic Packaging Technology (ICEPT 2019), 1–4, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ICEPT47577.2019.245231
Zimmerlin, B.; Eberhard, M.; Lam, H.; Mai, R.; Michelfelder, B.; Niebel, A.; Otto, T.; Pfitzer, C.; Weih, N.; Willy, M.; Leibold, H.; Dahmen, N.; Kolb, T.; Sauer, J.; Stapf, D. (2019). bioliq®-Pilotanlage zur Herstellung synthetischer Kraftstoffe - Betriebserfahrungen [Proceedingsbeitrag]. DGMK-Fachbereichstagung: Thermochemische Konversion – Schlüsselbaustein für zukünftige Energie- und Rohstoffsysteme, Dresden, 23.-24. Mai 2019. 
Presentations
Arnold, U.; Betz, M.; Hackbarth, K.; Haltenort, P.; Klein, G.; Niethammer, B.; Sauer, J. (2019). From renewable resources to fuels - the role of alcohols. 12th International Colloquium Fuels - Conventional and Future Energy for Automobiles (2019), Ostfildern, Germany, June 25–26, 2019. 
Becher, J.; Sheppard, T.; Meira, D. M.; Sanchez, D. F.; Doronkin, D.; Pascarelli, S.; Grunwaldt, J.-D. (2019, August). 3D spectrotomography of a structured honeycomb Cu-SSZ-13 exhaust gas catalyst under operando conditions. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Cai, X.; Samkhaniani, N.; Wörner, M.; Frohnapfel, B. (2019, May 10). Numerische Simulation von Tropfenaufprall und Filmbildung an der Wand. 7. Boysen Doktoranden-Treffen (2019), Altensteig, Germany, May 8–10, 2019. 
Dietze, E. M.; Plessow, P. N. (2019). Modelling Ostwald ripening beyond mean-field models. DPG-Frühjahrstagung der Sektion Kondensierte Materie (SKM), Fachverband Oberflächenphysik (2019), Regensburg, Germany, March 31–April 5, 2019. 
Dolcet, P.; Tofighi, G.; Schade, O.; Lott, P.; Grunwaldt, J.-D. (2019, August). Controlled synthesis of mono- and bimetallic nanoparticles via a microfluidic approach. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Doronkin, D. E.; Deschner, B. J.; Sheppard, T. L.; Selinsek, M.; Dittmeyer, R.; Grunwaldt, J.-D. (2019, January). Operando XAS at high pressure: observing Pd nanoparticles catalyzing direct synthesis of hydrogen peroxide. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2019), Hamburg, Germany, January 24–25, 2019. 
Doronkin, D.; Wang, S.; Deschner, B.; Sharapa, D.; Sheppard, T.; Zimina, A.; Dittmeyer, R.; Studt, F.; Behrens, S.; Grunwaldt, J.-D. (2019, August). Structure – Activity Relationships of Pd, PdSn, and PdIn Nanoparticles during Continuous Direct H2O2 Synthesis at High Pressure. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Fan, Y.; Hornung, U.; Dahmen, N.; Kruse, A. (2019). The influence of lipids on the fate of nitrogen during hydrothermal liquefaction of protein-containing biomass. Pyroliq : Pyrolysis and Liquefaction of Biomass and Wastes (2019), Cork, Ireland, June 16–20, 2019. 
Grunwaldt, J.-D. (2019, March). Tracking the active center in single site and supported metal catalysts. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Hornung, U. (2019, September 25). Erhält die HTL von Mikroalgen durch die Elektroporation neue Impulse?. HTP-Fachforum Hydrothermale Prozesse zur stofflichen und energetischen Wertschöpfung (2019), Leipzig, Germany, September 25–26, 2019. 
Lott, P.; Eck, M.; Doronkin, D.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Exhaust Gas after Treatment of Natural Gas Engines: A Systematic Operando Study on Sulfur Poisoning and Regeneration of Pd-Pt Methane Oxidation Catalysts. 26th North American Meeting of the Catalysis Society (NAM 26 2019), Chicago, IL, USA, June 23–28, 2019. 
Lott, P.; Gremminger, A.; Boubnov, A.; Doronkin, D.; Eck, M.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, March). Regeneration strategies for methane oxidation catalysts. 4th North American Symposium on Chemical Reaction Engineering (NASCRE 2019), Houston, TX, USA, March 10–13, 2019. 
Marschall, H.; Cai, X.; Wörner, M.; Deutschmann, O. (2019). A phase-field method for numerical simulation of interfacial two-phase flows using OpenFOAM. 6th GAMM Workshop on Phase-Field Modeling (2019), Karlsruhe, Germany, February 7–8, 2019. Full textFull text of the publication as PDF document
Polierer, S.; Pitter, S.; Grunwaldt, J.-D.; Guse, D.; Delgado, K. H.; Jelic, J.; Kind, M.; Otto, T.; Stehle, M.; Studt, F.; Wild, S.; Zevaco, T.; Zimmermann, M. (2019, August). Copper-based methanol catalysts applied in the direct dimethyl ether synthesis from CO₂-rich syngas. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Polierer, S.; Wild, S.; Herrera Delgado, K.; Grunwaldt, J.-D.; Kind, M.; Pitter, S. (2019, June 25). CO₂-rich syngas, an option for energy-related chemical processes?. 17th International Conference on Carbon Dioxide Utilization (ICCDU 2019), Aachen, Germany, June 23–27, 2019. 
Raun, K. V.; Thorhauge, M.; Gaur, A.; Grunwaldt, J.-D.; Jensen, J.; Høj, M. (2019, August). Experimental Investigations and Modelling of the Molybdenum Loss from Iron Molybdate Methanol Selective Oxidation Catalysts. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Schade, O.; Kalz, K.; Neukum, D.; Saraci, E.; Kleist, W.; Grunwaldt, J.-D. (2019, August). Controlling Selectivity: Selective oxidation of 5-(hydroxymethyl)furfural over gold- and silver-based catalysts. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Schwarz, S.; Yuan, W. H.; Ruwe, L.; Gossler, H.; Maier, L.; Qi, F.; Kohse-Höinghaus, K.; Deutschmann, O. (2019). Homogenous gas-phase reactions in exhaust aftertreatment systems of internal combustion engines. 29. Deutscher Flammentag (2019), Bochum, Germany, September 17–18, 2019. 
Serrer, M.-A.; Kalz, K. F.; Saraci, E.; Lichtenberg, H.; Grunwaldt, J.-D. (2019, June). The Role of Iron for the Enhanced Stability of a Ni3Fe/Al2O3 Catalyst during Dynamic CO2 Methanation. 26th North American Meeting of the Catalysis Society (NAM 26 2019), Chicago, IL, USA, June 23–28, 2019. 
Sheppard, T. L. (2019). Harnessing X-ray (Spectro)microscopy for Chemical Imaging of Heterogeneous Catalysts. Annual Meeting of the Italian Synchrotron Radiation Society (SILS 2019), Camerino, Italy, September 9–11, 2019. 
Sheppard, T. L. (2019). In situ and operando hard X-ray tomography from micro- to nanoscale: opportunities and applications in catalysis and materials science. Hands on ! High-pressure techniques at the ESRF-EBS (2019), Grenoble, France, June 17–21, 2019. 
Sheppard, T. L. (2019). In situ ptychography in 2D and 3D for Catalysis and Materials Research. ESRF User Meeting 2019 - Microsymposia: Exploiting coherent X-rays at ESRF: robust tools for imaging and dynamics (2019), Grenoble, France, February 4–6, 2019. 
Sheppard, T.; Fam, Y.; Becher, J.; Diaz, A.; Holler, M.; Wittstock, A.; Falkenberg, G.; Schropp, A.; Schroer, C.; Grunwaldt, J.-D. (2019, March). Understanding Catalyst Complexity at Synchrotron Light Sources Using Hard X-ray Ptychography and Tomography. 148th TMS Annual Meeting and Exhibition, Symposium on Corrosion in Heavy Liquid Metals for Energy Systems (TMS2021 Virtual 2019), San Antonio, TX, USA, March 10–14, 2019. 
Sheppard, T.; Fam, Y.; Schropp, A.; Schroer, C.; Grunwaldt, J.-D.; Gescher, J. (2019, August). Ptychographic X-ray computed tomography: a rapidly-emerging method for quantitative multiscale 3D chemical imaging in catalysis. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Sprenger, P.; Stehle, M.; Kleist, W.; Grunwaldt, J.-D. (2019, August). Probing the reactivity of bismuth molybdates in selective propylene oxidation by correlative operando methods. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Walter, K.; Saraci, E.; Serrer, M.; Kleist, W.; Grunwaldt, J.-D. (2019, August). Continuous production of higher alcohols from synthesis gas and ethanol using Cs-modified CuO/ZnO/Al₂O₃ catalysts. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Wang, S.; Rohlfs, P.; Börnhorst, M.; Schillaci, A.; Marschall, H.; Deutschmann, O.; Wörner, M. (2019). Validierung einer Phasenfeldmethode für die Zerteilung einer aufsteigenden Blase durch einen horizontalen Zylinder. Jahrestreffen der ProcessNet-Fachgruppe CFD (2019), Frankfurt am Main, Germany, March 19–20, 2019. 
Wild, S.; Delgado Otalvaro, N.; Guse, D.; Herrera Delgado, K.; Kind, M.; Pitter, S.; Sauer, J.; Karla, H. (2019, May 28). Catalyst performance studies for the direct DME synthesis from variable CO/CO2/H2 feeds. Jahrestreffen Reaktionstechnik gemeinsam mit der Fachgruppe Mehrphasenströmungen (2019), Würzburg, Germany, May 27–29, 2019. 
Wörner, M. (2019, September 13). A correlation for the characteristic velocity ratio to predict hydrodynamics of capillary gas-liquid Taylor flow. 6th International Conference on Structured Catalysts and Reactors (ICOSCAR6 2019), Bad Herrenalb, Germany, September 11–13, 2019. 
Zimmerlin, B.; Eberhard, M.; Lam, H.; Mai, R.; Michelfelder, B.; Niebel, A.; Otto, T.; Pfitzer, C.; Weih, N.; Willy, M.; Leibold, H.; Dahmen, N.; Kolb, T.; Sauer, J.; Stapf, D. (2019). bioliq®-Pilotanlage zur Herstellung synthetischer Kraftstoffe - Betriebserfahrungen [Vortrag]. DGMK-Fachbereichstagung: Thermochemische Konversion – Schlüsselbaustein für zukünftige Energie- und Rohstoffsysteme (2019), Dresden, Germany, May 23–24, 2019. 
Posters
Arnold, U.; Betz, M.; Haltenort, P.; Klein, G.; Sauer, J. (2019). Catalytic Synthesis of Alternative Fuels via Alcohols. 5th International Congress on Catalysis for Biorefineries (CatBior 2019), Turku, Finland, September 23–27, 2019. 
Becher, J.; Sheppard, T.; Fam, Y.; Baier, S.; Wang, W.; Wang, D.; Kulkarni, S.; Keller, T.; Lyubomirskiy, M.; Brueckner, D.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019, January). Using Ptychographic X-ray computed tomography and Electron Tomography for 3D structural snapshots of an exhaust gas monolith. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2019), Hamburg, Germany, January 24–25, 2019. 
Becher, J.; Sheppard, T.; Meira, D. M.; Sanchez, D. F.; Doronkin, D.; Pascarelli, S.; Grunwaldt, J.-D. (2019, February). Operando Spectrotomographic 3D Imaging of Heterogeneous Catalysts with Energy-Dispersive XAS. ESRF User Meeting (2019), Grenoble, France, February 4–6, 2019. 
Becher, J.; Sheppard, T.; Meira, D. M.; Sanchez, D. F.; Doronkin, D.; Pascarelli, S.; Grunwaldt, J.-D. (2019, March). Operando spectrotomographic 3D imaging of structured honeycomb Cu-SSZ-13 exhaust gas catalyst at work. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Börnhorst, M.; Dörnhöfer, J.; Ates, C.; Samkhaniani, N.; Pfeil, J.; Wörner, M.; Koch, R.; Bauer, H.-J.; Deutschmann, O.; Frohnapfel, B.; Koch, T. (2019, September). A Holistic View on Urea Injection for NOxEmission Control: Impingement, Reatomization and Deposit Formation. 6th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VI 2019), Bad Herrenalb, Germany, September 8–10, 2019. Full textFull text of the publication as PDF document
Börnhorst, M.; Homan, T. A. M.; Rohlfs, P.; Deen, N. G.; Deutschmann, O.; Wörner, M. (2019). Cutting of rising bubbles by a wire without contact. Jahrestreffen Reaktionstechnik gemeinsam mit der Fachgruppe Mehrphasenströmungen (2019), Würzburg, Germany, May 27–29, 2019. Full textFull text of the publication as PDF document
Boronin, A.; Stadnichenko, A.; Slavinskaya, E.; Svintsitskiy, D.; Romanenko, A.; Stonkus, O.; Derevyannikova, E.; Svetlichnyi, V.; Marchuk, V.; Doronkin, D.; Casapu, M.; Zimina, A.; Grunwaldt, J.-D. (2019, August). Platinum states and structural features of Pt/Al2O3 catalysts in the NH3 oxidation reaction. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Deschner, B.; Doronkin, D.; Sheppard, T.; Grunwaldt, J.-D.; Dittmeyer, R. (2019, August). In Situ XAS Study of Supported Palladium in the Direct Synthesis of Hydrogen Peroxide in Ethanol-Based Solvents Using a Continuous-Flow High-Pressure Setup. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Fam, Y.; Becher, J.; Scherer, T.; Marek, P.; Wang, W.; Wang, D.; Wittstock, A.; Sheppard, T. L.; Grunwaldt, J.-D. (2019, February). Multimodal Nanotomography Studies of Heterogeneous Catalysts with Electrons, Ions, and X-rays. KNMF User Meeting (2019), Karlsruhe, Germany, February 19–20, 2019. 
Fam, Y.; Sheppard, T. L.; Becher, J.; Weber, S.; Kulkarni, S.; Keller, T.; Schropp, A.; Wittwer, F.; Seyrich, M.; Brueckner, D.; Kahnt, M.; Wittstock, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019). Nanoreactors for in situ X-ray and electron microscopy. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2019), Hamburg, Germany, January 24–25, 2019. 
Fam, Y.; Sheppard, T.; Becher, J.; Scherhaufer, D.; Lambach, H.; Kulkarni, S.; Keller, T.; Wittstock, A.; Wittwer, F.; Seyrich, M.; Brueckner, D.; Kahnt, M.; Schropp, A.; Schroer, C.; Grunwaldt, J.-D. (2019, March). Design of in situ cells for 2D and 3D X-ray and electron microscopy in catalysis research. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Fan, Y.; Hornung, U.; Dahmen, N.; Kruse, A. (2019). The influence of lipids on the fate of nitrogen during hydrothermal liquefaction of protein-containing biomass. Pyroliq : Pyrolysis and Liquefaction of Biomass and Wastes (2019), Cork, Ireland, June 16–20, 2019. 
Gaur, A.; Dabros, T. H.; Høj, M.; Boubnov, A.; Prüssmann, T.; Jelic, J.; Studt, F.; Jensen, A.; Grunwaldt, J.-D. (2019, August). Investigation of the active sites of MoS2 based hydrotreating catalysts by modulated excitation X-ray absorption spectroscopy. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Guo, B.; Yang, B.; Silve, A.; Akaberi, S.; Scherer, D.; Papachristou, I.; Frey, W.; Hornung, U.; Dahmen, N. (2019). Hydrothermal liquefaction of valuables-extracted microalgae with help of pulsed electric field treatment. 27th European Biomass Conference and Exhibition (EUBCE 2019), Lisbon, Portugal, May 27–30, 2019.