Institute of Catalysis Research and Technology (IKFT)

Selected Publications

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 fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts. Review of scientific instruments, 92 (2), 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
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. 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
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/
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
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. 
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. doi:10.1007/978-3-319-50257-1_6-1Full textFull text of the publication as PDF document
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
Book Chapters
Dahmen, N.; Henrich, E.; Henrich, T. (2017). Synthesis Gas Biorefinery. Biorefineries. Ed.: K. Wagemann, 217–245, Springer International Publishing. doi:10.1007/10_2016_63
Doronkin, D. E.; Lichtenberg, H.; Grunwaldt, J.-D. (2017). Cell designs for in situ and operando studies. XAFS Techniques for Catalysts, Nanomaterials, and Surfaces. Ed.: Y. Iwasawa, 75–89, Springer. doi:10.1007/978-3-319-43866-5_6
Marschall, H.; Falconi, C.; Lehrenfeld, C.; Abiev, R.; Wörner, M.; Reusken, A.; Bothe, D. (2017). Direct Numerical Simulations of Taylor Bubbles in a Square Mini-Channel: Detailed Shape and Flow Analysis with Experimental Validation. Transport Processes at Fluidic Interfaces. Ed.: D. Bothe, 663–679, Springer International Publishing. doi:10.1007/978-3-319-56602-3_23
Raffelt, K.; Nicoleit, T.; Dahmen, N.; Sauer; Joerg. (2017). Bio-Slurries From Lignocellulose. Encyclopedia of Sustainable Technologies. Ed. by Abraham, Martin, 217–228, Elsevier. 
Wörner, M. (2017). Taylor Bubbles in Small Channels: A Proper Guiding Measure for Validation of Numerical Methods for Interface Resolving Simulations. Transport Processes at Fluidic Interfaces. Ed.: D. Bothe, 577–587, Springer International Publishing. doi:10.1007/978-3-319-56602-3_19
Journal Articles
Alexopoulou, K. I.; Leibold, M.; Walter, O.; Zevaco, T. A.; Schindler, S. (2017). Synthesis and characterization of a series of nickel complexes with tripodal and related ligands: electroreductive coupling of alkynes and carbon dioxide. European journal of inorganic chemistry, 2017 (40), 4722–4732. doi:10.1002/ejic.201700854
Baier, S.; Damsgaard, C. D.; Klumpp, M.; Reinhardt, J.; Sheppard, T.; Balogh, Z.; Kasama, T.; Benzi, F.; Wagner, J. B.; Schwieger, W.; Schroer, C. G.; Grunwaldt, J.-D. (2017). Stability of a Bifunctional Cu-Based Core@Zeolite Shell Catalyst for Dimethyl Ether Synthesis Under Redox Conditions Studied by Environmental Transmission Electron Microscopy and In Situ X-Ray Ptychography. Microscopy and microanalysis, 23 (3), 501–512. doi:10.1017/S1431927617000332
Benzi, F.; Sheppard, T. L.; Doronkin, D. E.; Meira, D. M.; Gänzler, A. M.; Baier, S.; Grunwaldt, J.-D. (2017). Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle. Catalysis science & technology, 7 (18), 3999–4006. doi:10.1039/c7cy00926g
Boscagli, C.; Yang, C.; Welle, A.; Wang, W.; Behrens, S.; Raffelt, K.; Grunwaldt, J.-D. (2017). Effect of pyrolysis oil components on the activity and selectivity of nickel-based catalysts during hydrotreatment. Applied catalysis / A, 544, 161–172. doi:10.1016/j.apcata.2017.07.025
Boukis, N.; Hauer, E.; Herbig, S.; Sauer, J.; Vogel, F. (2017). Catalytic gasification of digestate sludge in supercritical water on the pilot plant scale. Biomass Conversion and Biorefinery, 7 (4), 415–424. doi:10.1007/s13399-017-0238-x
Chakraborty, D.; Damsgaard, C. D.; Silva, H.; Conradsen, C.; Olsen, J. L.; Carvalho, H. W. P.; Mutz, B.; Bligaard, T.; Hoffmann, M. J.; Grunwaldt, J.-D.; Studt, F.; Chorkendorff, I. (2017). Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Catalyst for Low-Temperature Ammonia Oxidation. Angewandte Chemie / International edition, 56 (30), 8711–8715. doi:10.1002/anie.201703468
Chou, C.- wen; Kurz, C.; Hume, D. B.; Plessow, P. N.; Leibrandt, D. R.; Leibfried, D. (2017). Preparation and coherent manipulation of pure quantum states of a single molecular ion. Nature <London>, 545 (7653), 203–207. doi:10.1038/nature22338
Deutsch, D.; Oestreich, D.; Lautenschütz, L.; Haltenort, P.; Arnold, U.; Sauer, J. (2017). High Purity Oligomeric Oxymethylene Ethers as Diesel Fuels. Chemie - Ingenieur - Technik, 89 (4), 486–489. doi:10.1002/cite.201600158
Dietrich, C.; Schild, D.; Wang, W.; Kübel, C.; Behrens, S. (2017). Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids as Nanocatalysts for the Selective Hydrogenation of Cinnamaldehyde. Zeitschrift für anorganische und allgemeine Chemie, 643 (1), 120–129. doi:10.1002/zaac.201600391
Egeberg, A.; Dietrich, C.; Kind, C.; Popescu, R.; Gerthsen, D.; Behrens, S.; Feldmann, C. (2017). Bimetallic Nickel-Iridium and Nickel-Osmium Alloy Nanoparticles and Their Catalytic Performance in Hydrogenation Reactions. ChemCatChem, 9 (18), 3534–3543. doi:10.1002/cctc.201700168
Funke, A.; Henrich, E.; Dahmen, N.; Sauer, J. (2017). Dimensional Analysis of Auger-Type Fast Pyrolysis Reactors. Energy technology, 5 (1), 119–129. doi:10.1002/ente.201600095
Funke, A.; Tomasi Morgano, M.; Dahmen, N.; Leibold, H. (2017). Experimental comparison of two bench scale units for fast and intermediate pyrolysis. Journal of analytical and applied pyrolysis, 124, 504–514. doi:10.1016/j.jaap.2016.12.033
Gdovinová, V.; Schroer, M. A.; Tomašovičová, N.; Appel, I.; Behrens, S.; Majorošová, J.; Kováč, J.; Svergun, D. I.; Kopčanský, P. (2017). Structuralization of magnetic nanoparticles in 5CB liquid crystals. Soft matter, 13 (43), 7890–7896. doi:10.1039/C7SM01234A
Hengst, K.; Ligthart, D. A. J. M.; Doronkin, D. E.; Walter, K. M.; Kleist, W.; Hensen, E. J. M.; Grunwaldt, J.-D. (2017). Continuous Synthesis of γ-Valerolactone in a Trickle-Bed Reactor over Supported Nickel Catalysts. Industrial & engineering chemistry research, 56 (10), 2680–2689. doi:10.1021/acs.iecr.6b03493
Hensley, A. J. R.; Ghale, K.; Rieg, C.; Dang, T.; Anderst, E.; Studt, F.; Campbell, C. T.; McEwen, J.-S.; Xu, Y. (2017). DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals. The journal of physical chemistry <Washington, DC> / C, 121 (9), 4937–4945. doi:10.1021/acs.jpcc.6b10187
Kalz, K.; Kraehnert, R.; Dvoyashkin, M.; Dittmeyer, R.; Gläser, R.; Krewer, U.; Reuter, K.; Grunwaldt, J.-D. (2017). Future Challenges in Heterogeneous Catalysis : Understanding Catalysts under Dynamic Reaction Conditions. ChemCatChem, 9 (1), 17–29. doi:10.1002/cctc.201600996Full textFull text of the publication as PDF document
Kannepalli, S.; Bürger, A.; Tischer, S.; Deutschmann, O. (2017). Model-Based Optimization of Ammonia Dosing in NH₃-SCR of NOₓ for Transient Driving Cycle : Model Development and Simulation. Emission control science and technology, 3 (4), 249–262. doi:10.1007/s40825-017-0072-4
Klemm, E.; Kraume, M.; Ritter, J.; Sauer, J. (2017). Reaktionstechnik und Mischvorgänge: Zwei untrennbare Fachgebiete. Chemie - Ingenieur - Technik, 89 (4), 355. doi:10.1002/cite.201770042
Lautenschütz, L.; Oestreich, D.; Haltenort, P.; Arnold, U.; Dinjus, E.; Sauer, J. (2017). Efficient synthesis of oxymethylene dimethyl ethers (OME) from dimethoxymethane and trioxane over zeolites. Fuel processing technology, 165, 27–33. doi:10.1016/j.fuproc.2017.05.005
Li, L.; Plessow, P. N.; Rieger, M.; Sauer, S.; Sánchez-Carrera, R. S.; Schaefer, A.; Abild-Pedersen, F. (2017). Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach. The journal of physical chemistry <Washington, DC> / C, 121 (8), 4261–4269. doi:10.1021/acs.jpcc.6b11549
Llevot, A.; Monney, B.; Sehlinger, A.; Behrens, S.; Meier, M. A. R. (2017). Highly efficient Tsuji–Trost allylation in water catalyzed by Pd-nanoparticles. Chemical communications, 53 (37), 5175–5178. doi:10.1039/C7CC02380D
Mahbub, N.; Oyedun, A. O.; Kumar, A.; Oestreich, D.; Arnold, U.; Sauer, J. (2017). A life cycle assessment of oxymethylene ether synthesis from biomass-derived syngas as a diesel additive. Journal of cleaner production, 165, 1249–1262. doi:10.1016/j.jclepro.2017.07.178
Meller, C.; Bremer, J.; Ankit, K.; Baur, S.; Bergfeldt, T.; Blum, P.; Canic, T.; Eiche, E.; Gaucher, E.; Hagenmeyer, V.; Heberling, F.; Held, S.; Herfurth, S.; Isele, J.; Kling, T.; Kuhn, D.; Mayer, D.; Müller, B.; Nestler, B.; Neumann, T.; Nitschke, F.; Nothstein, A.; Nusiaputra, Y.; Orywall, P.; Peters, M.; Sahara, D.; Schäfer, T.; Schill, E.; Schilling, F.; Schröder, E.; Selzer, M.; Stoll, M.; Wiemer, H.-J.; Wolf, S.; Zimmermann, M.; Kohl, T. (2017). Integrated Research as Key to the Development of a Sustainable Geothermal Energy Technology. Energy technology, 5 (7), 965–1006. doi:10.1002/ente.201600579
Miao, D.; Cavusoglu, G.; Lichtenberg, H.; Yu, J.; Xu, H.; Grunwaldt, J.-D.; Goldbach, A. (2017). Water-gas shift reaction over platinum/strontium apatite catalysts. Applied catalysis / B, 202, 587–596. doi:10.1016/j.apcatb.2016.09.059
Mutz, B.; Belimov, M.; Wang, W.; Sprenger, P.; Serrer, M.-A.; Wang, D.; Pfeifer, P.; Kleist, W.; Grunwaldt, J.-D. (2017). Potential of an Alumina-Supported Ni₃Fe Catalyst in the Methanation of CO₂: Impact of Alloy Formation on Activity and Stability. ACS catalysis, 7 (10), 6802–6814. doi:10.1021/acscatal.7b01896
Nie, Z.; Finck, N.; Heberling, F.; Pruessmann, T.; Liu, C.; Lützenkirchen, J. (2017). Adsorption of Selenium and Strontium on Goethite: EXAFS Study and Surface Complexation Modeling of the Ternary Systems. Environmental science & technology, 51 (7), 3751–3758. doi:10.1021/acs.est.6b06104
Raupp, Y. S.; Yildiz, C.; Kleist, W.; Meier, M. A. R. (2017). Aerobic oxidation of α-pinene catalyzed by homogeneous and MOF-based Mn catalysts. Applied catalysis / A, 546, 1–6. doi:10.1016/j.apcata.2017.07.047
Rumancev, C.; von Gundlach, A. R.; Baier, S.; Wittstock, A.; Shi, J.; Benzi, F.; Senkbeil, T.; Stuhr, S.; Garamusx, V. M.; Grunwaldt, J.-D.; Rosenhahn, A. (2017). Morphological analysis of cerium oxide stabilized nanoporous gold catalysts by soft X-ray ASAXS. RSC Advances, 7 (72), 45344–45350. doi:10.1039/C7RA05396GFull textFull text of the publication as PDF document
Schachtl, E.; Yoo, J. S.; Gutiérrez, O. Y.; Studt, F.; Lercher, J. A. (2017). Impact of Ni promotion on the hydrogenation pathways of phenanthrene on MoS2/γ-Al2O3. Journal of catalysis, 352, 171–181. doi:10.1016/j.jcat.2017.05.003
Schuler, J.; Hornung, U.; Kruse, A.; Dahmen, N.; Sauer, J. (2017). Hydrothermal Liquefaction of Lignin. Journal of biomaterials and nanobiotechnology, 08 (01), 96–108. doi:10.4236/jbnb.2017.81007Full textFull text of the publication as PDF document
Sheppard, T. L.; Price, S. W. T.; Benzi, F.; Baier, S.; Klumpp, M.; Dittmeyer, R.; Schwieger, W.; Grunwaldt, J.-D. (2017). In Situ Multimodal 3D Chemical Imaging of a Hierarchically Structured Core@Shell Catalyst. Journal of the American Chemical Society, 139 (23), 7855–7863. doi:10.1021/jacs.7b02177
Shi, X.; Siahrostami, S.; Li, G.-L.; Zhang, Y.; Chakthranont, P.; Studt, F.; Jaramillo, T. F.; Zheng, X.; Nørskov, J. K. (2017). Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide. Nature Communications, 8 (1), Art. Nr.: 701. doi:10.1038/s41467-017-00585-6Full textFull text of the publication as PDF document