Institute of Catalysis Research and Technology (IKFT)

Publications


2021
Presentations
Baur, S.; Neuberger, A.-K.; Kuhn, D.; Seibt, A. (2021). Measurements on Fluid-Rock-Interaction of Thermal Water-Inhibitor-Mixtures with the HydRA Facility. World Geothermal Congress (2021), Reykjavik, Iceland, May 21–26, 2021. 
2020
PhD Theses
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
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
Baracchini, G.; Klumpp, M.; Arnold, P.; Dittmeyer, R. (2020). Direct synthesis of dimethyl ether: A simulation study on the influence of the catalyst configuration. The chemical engineering journal, 396, 125155. doi:10.1016/j.cej.2020.125155
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.; 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 H2O2 synthesis. Catalysis science & technology, 10, 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. 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
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
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
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/s41929-020-00508-7
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
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 [in press]. Journal of Energy Chemistry. doi:10.1016/j.jechem.2020.03.026
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. 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. doi:10.1002/adsc.202001003
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
Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2020). Homogeneous conversion of NO and NH with CH, CO, and CH at the diluted conditions of exhaust-gases of lean operated natural gas engines [in press]. International journal of chemical kinetics. doi:10.1002/kin.21435Full 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. doi:10.1039/D0CY01396J
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
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
Wang, S.; Doronkin, D. E.; Hähsler, M.; Huang, X.; Wang, D.; Grunwaldt, J.-D.; Behrens, S. (2020). Pd-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of HO. 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
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
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. doi:10.1002/zaac.202000124Full textFull text of the publication as PDF document
Presentations
Doronkin, D. E. (2020, January 30). QEXAFS-XRD combination at P64, and the high temperature setup at P65. 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
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 22–25, 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. 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. 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. 
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, Springer Vieweg, Berlin. 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
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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). NH3-SCR over V-W/TiO2 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
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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
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 [in press]. Industrial & engineering chemistry research. 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
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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
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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, Ostfildern. 
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, Florenz. 
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, Florenz. 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, Florenz. 
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, Milano. 
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, Florenz. 
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, Florenz. 
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. 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, IEEE, Piscataway, NJ. 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. 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 (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. 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.; 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. 
Dörnhöfer, J.; Börnhorst, M.; Ates, C.; Pfeil, J.; Wörner, M.; Koch, R.; Bauer, H.-J.; Deutschmann, O.; Frohnapfel, B.; Koch, T. (2019, September). Understanding the Fundamentals of Handling Aqueous Urea Solution for SCR. 6th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VI 2019), Bad Herrenalb, Germany, September 8–10, 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. 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. 
Haltenort, P.; Arnold, U.; Sauer, J. (2019). Potentials of Zeolite-catalyzed Transacetalization Reactions of Oxymethylene Dialkyl Ethers. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Haltenort, P.; Malzew, K.; Arnold, U.; Sauer, J. (2019). Catalyst screening and reactive studies for the synthesis of oxymethylene ethers (OME) from dimethyl ether. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Jelic, J.; Gänzler, A.; Maurer, F.; Grunwaldt, J.-D.; Studt, F. (2019, August). DFT study of Pt on CeO₂ under oxidizing and reducing conditions. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Lott, P.; Eck, M.; Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, March). Exhaust gas after treatment of natural gas engines: A systematic study on sulfur poisoning and regeneration of methane oxidation catalysts. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Niethammer, B.; Arnold, U.; Sauer, J. (2019). Modified catalysts for a low-aromatic Dimethyl ether-To-Gasoline process. 12th European Congress of Chemical Engineering (2019), Florence, Italy, September 15–19, 2019. 
Niethammer, B.; Arnold, U.; Sauer, J. (2019). Catalysts for the conversion of dimethyl ether to low-aromatic gasoline. Jahrestreffen Reaktionstechnik gemeinsam mit der Fachgruppe Mehrphasenströmungen (2019), Würzburg, Germany, May 27–29, 2019. 
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, March). Synthesis and characterization of copper-based catalysts applied in the one-step dimethyl ether synthesis. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Schade, O.; Kalz, K.; Neukum, D.; Kleist, W.; Grunwaldt, J.-D. (2019). Supported silver catalysts for the selective oxidation of 5-(hydroxymethyl)furfural. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Serrer, M.; Kalz, K.; Saraci, E.; Lichtenberg, H.; Grunwaldt, J.-D. (2019, August). Alloy stability and its role in the enhanced oxygen resistance of a Ni3Fe/Al2O3 catalyst during dynamic CO2 methanation. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Serrer, M.; Zimina, A.; Kalz, K.; Lichtenberg, H.; Grunwaldt, J.-D. (2019, March). Operando XAS and XRD studies of the superior stability of Ni₃Fe/Al₂O₃ under dynamic CO₂ methanation. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Stadnichenko, A.; Slavinskaya, E.; Svintsitskiy, D.; Romanenko, A.; Derevyannikova, E.; Stonkus, O.; Boronin, A.; Svetlichnyi, V.; Marchuk, V.; Doronkin, D.; Casapu, M.; Zimina, A.; Grunwaldt, J.-D. (2019, August). Structure-activity relationships of Pt/TiO2 catalysts for ammonia low-temperature oxidation. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Stehle, M.; Sprenger, P.; Sheppard, T.; Suuronen, J.; Gaur, A.; Benzi, F.; Grunwaldt, J.-D. (2019, March). Monitoring the structural evolution of multicomponent catalysts for selective propylene oxidation. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
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, May 27–30, 2019. 
Straß-Eifert, A.; Sheppard, T.; Damsgaard, C.; Grunwaldt, J.-D.; Güttel, R. (2019, March). Environmental Transmission Electron Microscopy on a Co@HZSM5 Catalyst Active in Fischer-Tropsch Synthesis. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
Tischer, S.; Börnhorst, M.; Amsler, J.; Schoch, G.; Deutschmann, O. (2019, September 8). Thermodynamics and reaction mechanism of urea decomposition. 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
Wang, S.; Doronkin, D.; Zimina, A.; Behrens, S. (2019, August). Bimetallic Nanocrystal-Based Catalysts for the Direct Synthesis of H2O2. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Germany, August 18–23, 2019. 
Woo, M.; Wörner, M.; Deutschmann, O. (2019, September). Influence of liquid film composition on mass transfer in Taylor flow - the case of hydrogenation of nitrobenzene. 6th International Conference on Structured Catalysts and Reactors (ICOSCAR6 2019), Bad Herrenalb, Germany, September 11–13, 2019. Full textFull text of the publication as PDF document
Zengel, D.; Fahami, A.; Günter, T.; Doronkin, D. E.; Casapu, M.; Vuong, T.; Brückner, A.; Grunwaldt, J.-D. (2019, March). The dynamic nature of Cu sites in Cu-SSZ-13 and the origin of the seagull shaped NOx conversion profile during NH3-SCR. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019. 
2018
Book Chapters
Dahmen, N.; Sauer, J.; Wodarz, S. (2018). Product and process cost assessment. Bioeconomy - Shaping the transition to a sustainable, biobased economy. Ed.: I. Lewandowski, 214–228, Springer International Publishing, Cham, CH. 
Hettel, M.; Wörner, M.; Deutschmann, O. (2018). Computational Fluid Dynamics of Catalytic Reactors. Handbook of Materials Modeling – Applications: Current and Emerging Materials. Ed.: W. Andreoni, 1–34, Springer International Publishing, Cham. doi:10.1007/978-3-319-50257-1_6-1
Journal Articles
Baumann, A.; Gaona, X.; Yalçıntaş, E.; Dardenne, K.; Prüßmann, T.; Rothe, J.; Duckworth, S.; Altmaier, M.; Geckeis, H. (2018). Impact of nitrate on the redox chemistry and solubility of Tc(IV) in alkaline, dilute to concentrated aqueous NaCl solutions. Applied geochemistry, 98, 321–330. doi:10.1016/j.apgeochem.2018.10.007
Betz, M.; Arnold, U.; Sauer, J. (2018). Synthese von aromatenfreiem Benzin aus Ethanol. Chemie - Ingenieur - Technik, 90 (9), 1169. doi:10.1002/cite.201855080
Breunig, M.; Gebhart, P.; Hornung, U.; Kruse, A.; Dinjus, E. (2018). Direct liquefaction of lignin and lignin rich biomasses by heterogenic catalytic hydrogenolysis. Biomass and bioenergy, 111, 352–360. doi:10.1016/j.biombioe.2017.06.001
Carriel Schmitt, C.; Gagliardi Reolon, M.; Zimmermann, M.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2018). Synthesis and Regeneration of Nickel-Based Catalysts for Hydrodeoxygenation of Beech Wood Fast Pyrolysis Bio-Oil. Catalysts, 8 (10), Article: 449. doi:10.3390/catal8100449Full textFull text of the publication as PDF document
Degler, D.; Müller, S. A.; Doronkin, D. E.; Wang, D.; Grunwaldt, J.-D.; Weimar, U.; Barsan, N. (2018). Platinum loaded tin dioxide: a model system for unravelling the interplay between heterogeneous catalysis and gas sensing. Journal of materials chemistry / A, 6 (5), 2034–2046. doi:10.1039/C7TA08781K
Dietrich, C.; Uzunidis, G.; Träutlein, Y.; Behrens, S. (2018). Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids. Journal of visualized experiments, (138), e58058. doi:10.3791/58058
Dietze, E. M.; Abild-Pedersen, F.; Plessow, P. N. (2018). Comparison of Sintering by Particle Migration and Ripening through First-Principles-Based Simulations. The journal of physical chemistry <Washington, DC> / C, 122 (46), 26563–26569. doi:10.1021/acs.jpcc.8b09303
Dietze, E. M.; Plessow, P. N. (2018). Kinetic Monte Carlo Model for Gas Phase Diffusion in Nanoscopic Systems. The journal of physical chemistry <Washington, DC> / C, 122 (21), 11524–11531. doi:10.1021/acs.jpcc.8b01816
Dotsenko, V. V.; Evmeshchenko, T. Y.; Aksenov, N. A.; Aksenova, I. V.; Krapivin, G. D.; Sharapa, D. I.; Chausov, F. F.; Strelkov, V. D.; Dyadyuchenko, L. V. (2018). Some New Reactions and Properties of Xanthane Hydride (5-Amino-1,2,4-dithiazole-3-thione). Russian journal of general chemistry, 88 (10), 2050–2057. doi:10.1134/S1070363218100043
Etzold, B. J. M.; Nieken, U.; Sauer, J.; Ziegenbalg, D. (2018). Technische Chemie 2017 (Trenbericht). Nachrichten aus der Chemie, 66 (5), 484–485. 
Fan, Y.; Hornung, U.; Dahmen, N.; Kruse, A. (2018). Hydrothermal liquefaction of protein-containing biomass: study of model compounds for Maillard reactions. Biomass Conversion and Biorefinery, 8 (4), 909–923. doi:10.1007/s13399-018-0340-8
Fečík, M.; Plessow, P. N.; Studt, F. (2018). Simple Scheme to Predict Transition-State Energies of Dehydration Reactions in Zeolites with Relevance to Biomass Conversion. The journal of physical chemistry <Washington, DC> / C, 122 (40), 23062–23067. doi:10.1021/acs.jpcc.8b07659
Fink, V.; Cai, X.; Stroh, A.; Bernard, R.; Kriegseis, J.; Frohnapfel, B.; Marschall, H.; Wörner, M. (2018). Drop bouncing by micro-grooves. International journal of heat and fluid flow, 70, 271–278. doi:10.1016/j.ijheatfluidflow.2018.02.014
Funke, A.; Demus, T.; Willms, T.; Schenke, L.; Echterhof, T.; Niebel, A.; Pfeifer, H.; Dahmen, N. (2018). Application of fast pyrolysis char in an electric arc furnace. Fuel processing technology, 174, 61–68. doi:10.1016/j.fuproc.2018.02.013
Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2018). An intermetallic Pd₂Ga nanoparticle catalyst for the single-step conversion of CO-rich synthesis gas to dimethyl ether. Applied catalysis / A, 562, 206–214. doi:10.1016/j.apcata.2018.04.018
Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J. D.; Sauer, J.; Behrens, S. (2018). Bifunctional catalysts based on colloidal Cu/Zn nanoparticles for the direct conversion of synthesis gas to dimethyl ether and hydrocarbons. Applied catalysis / A, 557, 99–107. doi:10.1016/j.apcata.2018.03.008
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). CaRMeN: a tool for analysing and deriving kinetics in the real world. Physical chemistry, chemical physics, 20 (16), 10857–10876. doi:10.1039/C7CP07777G
Hackbarth, K.; Haltenort, P.; Arnold, U.; Sauer, J. (2018). Recent Progress in the Production, Application and Evaluation of Oxymethylene Ethers. Chemie - Ingenieur - Technik, 90 (10), 1520–1528. doi:10.1002/cite.201800068
Haltenort, P.; Hackbarth, K.; Oestreich, D.; Lautenschütz, L.; Arnold, U.; Sauer, J. (2018). Heterogeneously catalyzed synthesis of oxymethylene dimethyl ethers (OME) from dimethyl ether and trioxane. Catalysis communications, 109, 80–84. doi:10.1016/j.catcom.2018.02.013
Hartmann Dabros, T. M.; Gaur, A.; Pintos, D. G.; Sprenger, P.; Høj, M.; Hansen, T. W.; Studt, F.; Gabrielsen, J.; Grunwaldt, J.-D.; Jensen, A. D. (2018). Influence of H₂O and H₂S on the composition, activity, and stability of sulfided Mo, CoMo, and NiMo supported on MgAl₂O₄ for hydrodeoxygenation of ethylene glycol. Applied catalysis / A, 551, 106–121. doi:10.1016/j.apcata.2017.12.008
Hettel, M.; Daymo, E. A.; Deutschmann, O. (2018). 3D modeling of a CPOX-reformer including detailed chemistry and radiation effects with DUO. Computers & chemical engineering, 109, 166–178. doi:10.1016/j.compchemeng.2017.11.005
Ille, Y.; Kröhl, F.; Velez, A.; Funke, A.; Pereda, S.; Schaber, K.; Dahmen, N. (2018). Activity of water in pyrolysis oil—Experiments and modelling. Journal of analytical and applied pyrolysis, 135, 260–270. doi:10.1016/j.jaap.2018.08.027
Jung, D.; Zimmermann, M.; Kruse, A. (2018). Hydrothermal Carbonization of Fructose: Growth Mechanism and Kinetic Model. ACS sustainable chemistry & engineering, 6 (11), 13877–13887. doi:10.1021/acssuschemeng.8b02118
Kaminske, V.; Wiegand, G. (2018). 50 Jahre Plattentektonik: Offene Fragen und mögliche Antworten. Naturwissenschaftliche Rundschau, 71 (3). 
Kerkeni, B.; Berthout, D.; Berthomieu, D.; Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.; Chizallet, C. (2018). Copper Coordination to Water and Ammonia in Cuᴵᴵ-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments. The journal of physical chemistry <Washington, DC> / C, 122 (29), 16741–16755. doi:10.1021/acs.jpcc.8b03572
Kruse, A.; Dahmen, N. (2018). Hydrothermal biomass conversion: Quo vadis?. The journal of supercritical fluids, 134, 114–123. doi:10.1016/j.supflu.2017.12.035
Kulkarni, A. R.; Zhao, Z.-J.; Siahrostami, S.; Nørskov, J. K.; Studt, F. (2018). Cation-exchanged zeolites for the selective oxidation of methane to methanol. Catalysis science & technology, 8 (1), 114–123. doi:10.1039/c7cy01229b
Müller, S. A.; Degler, D.; Feldmann, C.; Türk, M.; Moos, R.; Fink, K.; Studt, F.; Gerthsen, D.; Barsan, N.; Grunwaldt, J.-D. (2018). Exploiting Synergies in Catalysis and Gas Sensing using Noble Metal-Loaded Oxide Composites. ChemCatChem, 10 (5), 864–880. doi:10.1002/cctc.201701545
Niethammer, B.; Wodarz, S.; Betz, M.; Haltenort, P.; Oestreich, D.; Hackbarth, K.; Arnold, U.; Otto, T.; Sauer, J. (2018). Alternative Liquid Fuels from Renewable Resources. Chemie - Ingenieur - Technik, 90 (1-2), 99–112. doi:10.1002/cite.201700117Full textFull text of the publication as PDF document
Oswald, F.; Stoll, I. K.; Zwick, M.; Herbig, S.; Sauer, J.; Boukis, N.; Neumann, A. (2018). Formic Acid Formation by at Elevated Pressures of Carbon Dioxide and Hydrogen. Frontiers in Bioengineering and Biotechnology, 6, Art.Nr. 6. doi:10.3389/fbioe.2018.00006Full textFull text of the publication as PDF document
Oyedun, A. O.; Kumar, A.; Oestreich, D.; Arnold, U.; Sauer, J. (2018). The development of the production cost of oxymethylene ethers as diesel additives from biomass. Biofuels, bioproducts and biorefining, 12 (4), 694–710. doi:10.1002/bbb.1887
Rohde, V.; Hahn, T.; Wagner, M.; Böringer, S.; Tübke, B.; Brosse, N.; Dahmen, N.; Schmiedl, D. (2018). Potential of a short rotation coppice poplar as a feedstock for platform chemicals and lignin-based building blocks. Industrial crops and products, 123, 698–706. doi:10.1016/j.indcrop.2018.07.034
Sauer, J.; Klemm, E. (2018). Chemische Reaktionstechnik in Zeiten der Energiewende. Chemie - Ingenieur - Technik, 90 (5), 575. doi:10.1002/cite.201870052
Schmitt, C. C.; Raffelt, K.; Zimina, A.; Krause, B.; Otto, T.; Rapp, M.; Grunwaldt, J.-D.; Dahmen, N. (2018). Hydrotreatment of Fast Pyrolysis Bio-oil Fractions Over Nickel-Based Catalyst. Topics in catalysis, 61 (15-17), 1769–1782. doi:10.1007/s11244-018-1009-zFull textFull text of the publication as PDF document
Schumann, J.; Medford, A. J.; Yoo, J. S.; Zhao, Z.; Bothra, P.; Cao, A.; Studt, F.; Abild-Pedersen, F.; Nørskov, J. K. (2018). Selectivity of Synthesis Gas Conversion to C Oxygenates on fcc(111) Transition-Metal Surfaces. ACS catalysis, 8 (4), 3447–3453. doi:10.1021/acscatal.8b00201
Sharapa, D.; Steiner, A.; Amsharov, K. (2018). The Mechanism of Cyclodehydrofluorination on γ‐Alumina. Physica status solidi / B, 255 (12), Art.-Nr.: 1800189. doi:10.1002/pssb.201800189
Sprenger, P.; Stehle, M.; Gaur, A.; Gänzler, A. M.; Gashnikova, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Reactivity of Bismuth Molybdates for Selective Oxidation of Propylene Probed by Correlative Operando Spectroscopies. ACS catalysis, 8 (7), 6462–6475. doi:10.1021/acscatal.8b00696
Staerz, A.; Boehme, I.; Degler, D.; Bahri, M.; Doronkin, D. E.; Zimina, A.; Brinkmann, H.; Herrmann, S.; Junker, B.; Ersen, O.; Grunwaldt, J.-D.; Weimar, U.; Barsan, N. (2018). Rhodium oxide surface-loaded gas sensors. Nanomaterials, 8 (11), Art. Nr.: 892. doi:10.3390/nano8110892Full textFull text of the publication as PDF document
Stoll, K. I.; Herbig, S.; Zwick, M.; Boukis, N.; Sauer, J.; Neumann, A.; Oswald, F. (2018). Fermentation of H₂ and CO₂ with Clostridium ljungdahlii at Elevated Process Pressure – First Experimental Results. Chemical engineering transactions, 64, 151–156. doi:10.3303/CET1864026
Tofighi, G.; Gaur, A.; Doronkin, D. E.; Lichtenberg, H.; Wang, W.; Wang, D.; Rinke, G.; Ewinger, A.; Dittmeyer, R.; Grunwaldt, J.-D. (2018). Microfluidic Synthesis of Ultrasmall AuPd Nanoparticles with a Homogeneously Mixed Alloy Structure in Fast Continuous Flow for Catalytic Applications. The journal of physical chemistry <Washington, DC> / C, 122 (3), 1721–1731. doi:10.1021/acs.jpcc.7b11383
Torkashvand, B.; Maier, L.; Lott, P.; Schedlbauer, T.; Grunwaldt, J.-D.; Deutschmann, O. (2018). Formaldehyde Oxidation Over Platinum: On the Kinetics Relevant to Exhaust Conditions of Lean-Burn Natural Gas Engines. Topics in catalysis, 62 (1-4), 206–213. doi:10.1007/s11244-018-1087-y
Volpe, M.; Wüst, D.; Merzari, F.; Lucian, M.; Andreottola, G.; Kruse, A.; Fiori, L. (2018). One stage olive mill waste streams valorisation via hydrothermal carbonisation. Waste management, 80, 224–234. doi:10.1016/j.wasman.2018.09.021
Yoo, J. S.; Schumann, J.; Studt, F.; Abild-Pedersen, F.; Nørskov, J. K. (2018). Theoretical Investigation of Methane Oxidation on Pd(111) and Other Metallic Surfaces. The journal of physical chemistry <Washington, DC> / C, 122 (28), 16023–16032. doi:10.1021/acs.jpcc.8b02142
Conference Papers
Betz, M.; Arnold, U.; Sauer, J. (2018). Synthese von aromatenfreiem Benzin aus Ethanol. 1. Deutsches Doktorandenkolloquium BioenergieDBFZ Tagungsreader, Nr. 13, 172–182, DBFZ, Leipzig. 
Haltenort, P.; Hackbarth, K.; Arnold, U.; Sauer, J. (2018). Aspekte und Beurteilung der sicheren verbrennungsmotorischen Anwendung von Oxymethylenethern (OME). Krafstoffe für die Mobilität von morgen. Hrsg. J. Krahl, 149–150, Cuvillier Verlag, Göttingen. 
Oestreich, D.; Haltenort, P.; Hackbarth, K.; Arnold, U.; Sauer, J. (2018). Synthese von Oxymethylenether (OME). Ideen und Innovationen für die Energie von morgen : Wissenschaftliche Beiträge des KIT zu den Jahrestagungen 2014, 2016 und 2017 des KIT-Zentrums Energie. Hrsg.: W. Breh, 107–113, KIT Scientific Publishing, Karlsruhe. doi:10.5445/IR/1000085345Full textFull text of the publication as PDF document
Wiegand, G.; Böse, A.-S.; Hölscher, H.; Johnsen, S.; Schneider, M.; Syurik, J.; Worgull, M. (2018). Creation of microstructured polymers with defined micro and nano pores for different applications using hot embossing and CO₂. 12th International Symposium on Supercritical Fluids, Antibes-Juan-les-Pins, F, April 22-25, 2018, Paper OA09, ISASF, Valence. 
Wiegand, G.; Hölscher, H.; Johnsen, S.; Schneider, M.; Syurik, J.; Worgull, M. (2018). Creation of microstructured polymers with defined micro and nano pores for different applications using hot embossing and CO₂ [in press]. 12th International Symposium on Supercritical Fluids (ISSF 2018), Antibes-Juan-les-Pins, F, April 22-25, 2018. 
Presentations
Arnold, U.; Hackbarth, K.; Haltenort, P.; Sauer, J. (2018). refuels – Raw Materials, Processes and Applications for Synthetic Fuels. COMSYN European 2nd Generation Biofuels – Opportunities and Applications 1st Workshop of the European Project COMSYN (2018), Stuttgart/Karlsruhe, April 18–19, 2018. 
Arnold, U.; Müller-Langer, F.; Dahmen, N. (2018). Implementation agenda Germany & others”, Commercialization of conventional and advanced liquid biofuels from biomass. IEA Bioenergy Task 39 Business Meeting (2018), Beijing, China, April 7–9, 2018. 
Betz, M.; Arnold, U.; Sauer, J. (2018). Synthese von aromatenfreiem Benzin aus Ethanol. 1. Deutsches Doktorandenkolloquium Bioenergie (2018), Leipzig, Germany, September 20–21, 2018. 
Boukis, N. (2018). Fermentation: Eine neue Alternative für die Nutzung von Synthesegasen. Umsichtige Industrielösungen : Fraunhofer UMSICHT Sommersymposium (2018), Sulzbach-Rosenberg, Germany, June 28, 2018. 
Boukis, N.; Herbig, S.; Sauer, J. (2018). Gasification of wet waste biomass in supercritical water, selected examples. 9th International Freiberg Conference on IGCC & XtL (2018), Berlin, Germany, June 3–8, 2018. 
Cai, X.; Wu, Y.; Marschall, H.; Deutschmann, O.; Frohnapfel, B.; Wörner, M. (2018, March). Numerical simulation campaign on droplet rebound from hydrophobic surface. Jahrestreffen der ProcessNet-Fachgruppen Mehrphasenströmungen, Wärme- und Stoffübertragung und Computational Fluid Dynamics (2018), Bremen, Germany, March 6–7, 2018. 
Cai, X.; Wörner, M.; Frohnapfel, B. (2018). Numerische Simulation von Tropfenaufprallvorgängen im Hinblick auf die Bildung von Flüssigkeitsfilmen bei der SCR Abgasnachbehandlung. Boysen Doktoranden-Treffen (2018), Altensteig, Germany, May 17–18, 2018. 
Cavusoglu, G.; Dallmann, F.; Lichtenberg, H.; Castro, G. R.; Dittmeyer, R.; Grunwaldt, J.-D. (2018). Investigstion of a Rh/CeO₂ catalyst and a Pd membrane in a micro-structured membrane reactor. 17th International Conference on X-Ray Absorption Fine Structure (XAFS 2018), Krakow, Poland, July 22–27, 2018. 
Dietze, E.; Abild-Petersen, F.; Plessow, P. N. (2018). Insights into the relative importance of ripening and particle migration for sintering of Pt nanoparticles. DPG-Frühjahrstagung der Sektion Kondensierte Materie gemeinsam mit der EPS, Fachverband Oberflächenphysik (2018), Berlin, Germany, March 11–16, 2018. 
Doronkin, D. E.; Benzi, F.; Becher, J.; Sheppard, T. L.; Gänzler, A. M.; Grunwaldt, J. D. (2018). Pt-based diesel oxidation catalysts studied by X-ray absorption spectroscopy during rapid transient temperature driving cycles. 11th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2018), Brussels, Belgium, October 29–31, 2018. 
Doronkin, D. E.; Günter, T.; Fahami, A. R.; Casapu, M.; Grunwaldt, J.-D. (2018). Origins of the ’Seagull’ NOx conversion profile during selective catalytic reduction by ammonia over Cu-SSZ-13 catalysts. 27th ATC: Industrial Inorganic Chemistry - Materials and Processes (2018), Frankfurt am Main, Germany, February 22–23, 2018. 
Doronkin, D. E.; Günter, T.; Fahami, A. R.; Tronconi, E.; Nova, I.; Casapu, M.; Grunwaldt, J. D. (2018). NH₃-SCR over V-W/TiO₂ investigated by operando X-ray absorption and emission spectroscopy. 11th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2018), Brussels, Belgium, October 29–31, 2018. 
Doronkin, D. E.; Günter, T.; Fahami, A. R.; Tronconi, E.; Nova, I.; Casapu, M.; Grunwaldt, J. D. (2018). Dynamics of Cu sites and the origin of dual-maxima NOₓ conversion profile during NH₃-SCR over Cu-SSZ-13. 11th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2018), Brussels, Belgium, October 29–31, 2018. 
Gentzen, M.; Behrens, S.; Sauer, J. (2018). Model catalyst for the direct synthesis of DME from CO-rich synthesis gas by colloidal preparation techniques. Japan-German Joint Symposium on Advanced Catalysis Materials and Characterization, München, June 19-21, 2018. 
Giehr, A.; Angeli, S.; Maier, L.; Deutschmann, O. (2018). Experimental and microkinetic investigation of methane dry reforming on a co-based catalyst. 117th General Assembly of the German Bunsen Society for Physical Chemistry (2018), Hanover, Germany, May 10–12, 2018. 
Giehr, A.; Angeli, S.; Maier, L.; Deutschmann, O. (2018). Experimental and microkinetic investigation of methane dry reforming on a Co-based catalyst. 51. Jahrestreffen Deutscher Katalytiker (2018), Weimar, Germany, March 14–16, 2018. 
Giehr, A.; Angeli, S.; Maier, L.; Schunk, S.; Deutschmann, O. (2018). Dry reforming of methane over a Co-based catalyst: An experimental and microkinetics modeling study. 25th International Conference on Chemical Reaction Engineering (ISCRE 2018), Florence, Italy, May 20–23, 2018. 
Gossler, H.; Angeli, S.; Tischer, S.; Maier, L.; Deutschmann, O. (2018). Catalytic reaction mechanism network (CaRMeN): a novel tool for the evaluation of kinetic data and mechanisms. 51. Jahrestreffen Deutscher Katalytiker (2018), Weimar, Germany, March 14–16, 2018. 
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). Reaction mechanisms for combustion of H₂, CO and CH₄ over Rh analyzed by CaRMeN. 37th International Symposium on Combustion (2018), Dublin, Ireland, July 29–August 3, 2018. 
Gossler, H.; Tischer, S.; Maier, L.; Deutschmann, O. (2018). CaRmeN: catalytic reaction mechanisms network - a novel tool for the evaluation of kinetic data and mechanisms. 25th International Conference on Chemical Reaction Engineering (ISCRE 2018), Florence, Italy, May 20–23, 2018. 
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). CaRMeN: a novel software tool for the evaluation of kinetic models. 117th General Assembly of the German Bunsen Society for Physical Chemistry (2018), Hanover, Germany, May 10–12, 2018. 
Grunwaldt, J.-D.; Doronkin, D. E.; Zheng, L.; Benzi, F.; Casapu, M. (2018). Operando X-ray absorption and emission spectroscopic study if V-W-TiO₂ catalysts for NOₓ removal from the diesel exhaust. 17th International Conference on X-Ray Absorption Fine Structure (XAFS 2018), Krakow, Poland, July 22–27, 2018. 
Grunwaldt, J.-D.; Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Sauer, J.; Behrens, S. (2018). High pressure operando XANES and EXAFS investigation of a bifunctional PdZn catalyst prepared by a colloidal route during synthesis of dimethyl ether. 17th International Conference on X-Ray Absorption Fine Structure (XAFS 2018), Krakow, Poland, July 22–27, 2018.