Institut für Katalyseforschung und -technologie (IKFT)

Publikationen

2021

Zeitschriftenaufsätze

Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Density functional theory calculations of diffusion barriers of organic molecules through the 8-ring of H-SSZ-13. Chemical physics, 541, Art.-Nr.: 111033. doi:10.1016/j.chemphys.2020.111033

Wang, C.; Wu, C.; Hornung, U.; Zhu, W.; Dahmen, N. (2021). Suppression of tar and char formation in supercritical water gasification of sewage sludge by additive addition. Chemosphere, 262, Article: 128412. doi:10.1016/j.chemosphere.2020.128412

Woo, M.; Tischer, S.; Deutschmann, O.; Wörner, M. (2021). A step toward the numerical simulation of catalytic hydrogenation of nitrobenzene in Taylor flow at practical conditions. Chemical engineering science, 230, Art.-Nr.: 116132. doi:10.1016/j.ces.2020.116132

2020

Dissertationen

Dietze, E. M. (2020). Theoretical investigation of catalyst stability and deactivation. Dissertation. Karlsruhe. doi:10.5445/IR/1000104570

Erdogan, S. (2020, Oktober 7). Numerical Analysis and Modelling of Liquid Turbulence in Bubble Columns at Various Scales by Computational Fluid Dynamics. Dissertation. Karlsruhe. doi:10.5445/IR/1000124150

Fan, Y. (2020, November 9). The fate of nitrogen during hydrothermal liquefaction of sewage sludge. Dissertation. Karlsruhe. doi:10.5445/IR/1000125800

Ferreira Gonçalves, T. J. (2020, Mai 19). Theoretical Studies of OME-synthesis and Ammonia SCR in Zeolite Catalysis. Dissertation. Karlsruhe. doi:10.5445/IR/1000119501

Guo, B. (2020). Hydrothermal liquefaction within a microalgae biorefinery. Dissertation. Karlsruhe. doi:10.5445/IR/1000105190

Schuler, J. (2020, März 2). Hydrothermal liquefaction of lignin. Dissertation. Karlsruhe. doi:10.5445/IR/1000117444

Steinbach, D. (2020, Oktober 28). Umsetzung von Lignocellulosen zu Hydroxymethylfurfural in einer hydrothermalen Bioraffinerie. Dissertation. Karlsruhe. doi:10.5445/IR/1000125267

Zeitschriftenaufsätze

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.2020.118002

Antritter, T.; Mayer, M.; Hachmann, P.; Wörner, M. (2020). Suppressing artificial equilibrium states caused by spurious currents in droplet spreading simulations with dynamic contact angle model. Progress in computational fluid dynamics, 20 (2), 59–70. doi:10.1504/PCFD.2020.106403

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

Baracchini, G.; Machoke, A.; Klumpp, M.; Wen, R.; Arnold, P.; Schwieger, W.; Dittmeyer, R. (2020). Structured catalysis for the direct synthesis of dimethyl ether from synthesis gas: A comparison of core@shell versus hybrid catalyst configeration. Catalysis today, 342, 46–58. doi:10.1016/j.cattod.2019.07.016

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

Casapu, M.; Zheng, L.; Zimina, A.; Grunwaldt, J.-D. (2020). Hydrocarbon and soot oxidation over cerium and iron doped vanadium SCR catalysts. ChemCatChem. doi:10.1002/cctc.202001314

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

Delgado Otalvaro, N.; Kaiser, M.; Herrera Delgado, K.; Wild, S.; Sauer, J.; Freund, H. (2020). Optimization of the direct synthesis of dimethyl ether from CO₂ rich synthesis gas: Closing the loop between experimental investigations and model-based reactor design. Reaction chemistry & engineering, 5 (5), 949–960. doi:10.1039/d0re00041h

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/D0CY00553C

Fan, Y.; Fonseca, F. G.; Gong, M.; Hoffmann, A.; Hornung, U.; Dahmen, N. (2020). Energy valorization of integrating lipid extraction and hydrothermal liquefaction of lipid-extracted sewage sludge [in press]. Journal of cleaner production, Art.-Nr.: 124895. doi:10.1016/j.jclepro.2020.124895

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

Fečík, M.; Plessow, P. N.; Studt, F. (2020). A Systematic Study of Methylation from Benzene to Hexamethylbenzene in H-SSZ-13 Using Density Functional Theory and Ab Initio Calculations. ACS catalysis, 10 (15), 8916–8925. doi:10.1021/acscatal.0c02037

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

Feofanov, M.; Akhmetov, V.; Sharapa, D. I.; Amsharov, K. (2020). Oxidative Electrocyclization of Diradicaloids: C–C Bonds for Free or How to Use Biradical Character for π-Extension. Organic letters, 22 (15), 5741–5745. doi:10.1021/acs.orglett.0c01717

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/D0CP01506G

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

Haltenort, P.; Lösch, O.; Schäfer, B.; Sauer, J. (2020). Energieeffizienz in der Prozessindustrie – Technologieoptionen des Forschungsnetzwerks Energie in Industrie und Gewerbe. Chemie - Ingenieur - Technik, 92 (9), 1268. doi:10.1002/cite.202055180

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

Infantes, A.; Kugel, M.; Raffelt, K.; Neumann, A. (2020). Side-by-Side Comparison of Clean and Biomass-Derived, Impurity-Containing Syngas as Substrate for Acetogenic Fermentation with Clostridium ljungdahlii. Fermentation, 6 (3), Article: 84. doi:10.3390/fermentation6030084

Karadeniz, H.; Karakaya, C.; Tischer, S.; Deutschmann, O. (2020). Numerical Simulation of Methane and Propane Reforming Over a Porous Rh/Al

_{2}

_{3}

Catalyst in Stagnation-Flows: Impact of Internal and External Mass Transfer Limitations on Species Profiles. Catalysts, 10 (8), Art.-Nr.: 915. doi:10.3390/catal10080915

Keller, K.; Lott, P.; Stotz, H.; Maier, L.; Deutschmann, O. (2020). Microkinetic Modeling of the Oxidation of Methane Over PdO Catalysts—Towards a Better Understanding of the Water Inhibition Effect. Catalysts, 10 (8), Art.-Nr.: 922. doi:10.3390/catal10080922

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

Klemm, E.; Sauer, J. (2020). Reaktionstechnik in Corona‐Zeiten = Reaction Technics in Corona Times. Chemie - Ingenieur - Technik, 92 (5), 491. doi:10.1002/cite.202070502

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/en13133309

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/C9RE00493A

Lott, P.; Eck, M.; Doronkin, D. E.; Zimina, A.; Tischer, S.; Popescu, R.; Belin, S.; Briois, V.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2020). Understanding Sulfur Poisoning of Bimetallic Pd-Pt Methane Oxidation Catalysts and their Regeneration. Applied catalysis / B, 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

Mueller, 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. doi:10.1021/acssensors.0c00712

Naim, W.; Schade, O. R.; Saraci, E.; Wüst, D.; Kruse, A.; Grunwaldt, J.-D. (2020). Towards an intensified process of biomass-derived monomers: The influence of HMF by-products on gold-catalyzed synthesis of 2,5-furandicarboxylic acid. ACS sustainable chemistry & engineering. doi:10.1021/acssuschemeng.0c01319

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. (2020). The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamics. Physical chemistry, chemical physics, 22 (23), 12939–12945. doi:10.1039/d0cp01651a

Plessow, P. N.; Studt, F. (2020). Olefin methylation and cracking reactions in H-SSZ-13 investigated withab initioand DFT calculations (vol 8, pg 4420, 2018). Catalysis science & technology, 10 (19), 6738–6739. doi:10.1039/d0cy90088e

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

_{2}

-Rich Syngas with Cu/ZnO/ZrO

_{2}

Catalysts Prepared by Continuous Co-Precipitation. Catalysts, 10 (8), Article: 816. doi:10.3390/catal10080816

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.201915255

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/catal10030342

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

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

Schäfer, B.; Sauer, J. (2020). Trends der chemischen Prozessindustrie. Chemie - Ingenieur - Technik, 92 (3), 183–191. doi:10.1002/cite.201900178

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.2019.106199

Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2020). Homogeneous conversion of NO

_{x}

and NH

_{3}

with CH

_{4}

, CO, and C

_{2}

_{4}

at the diluted conditions of exhaust-gases of lean operated natural gas engines [in press]. International journal of chemical kinetics. doi:10.1002/kin.21435

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/S1600576720008420

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

Sirisomboon, P.; Funke, A.; Posom, J. (2020). Improvement of proximate data and calorific value assessment of bamboo through near infrared wood chips acquisition. Renewable energy, 147, 1921–1931. doi:10.1016/j.renene.2019.09.128

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/app10144699

Steinbach, D.; Klier, A.; Kruse, A.; Sauer, J.; Wild, S.; Zanker, M. (2020). Isomerization of Glucose to Fructose in Hydrolysates from Lignocellulosic Biomass Using Hydrotalcite. Processes, 8 (6), Article: 644. doi:10.3390/PR8060644

Stoll, I. K.; Boukis, N.; Sauer, J. (2020). Syngas Fermentation to Alcohols: Reactor Technology and Application Perspective. Chemie - Ingenieur - Technik, 92 (1-2), 125–136. doi:10.1002/cite.201900118

Straß-Eifert, A.; Sheppard, T. L.; Damsgaard, C. D.; Grunwaldt, J.-D.; Güttel, R. (2020). Stability of Cobalt Particles in and outside HZSM‐5 under CO Hydrogenation Conditions Studied by ex situ and in situ Electron Microscopy. ChemCatChem, cctc.202001533. doi:10.1002/cctc.202001533

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/catal10040437

Wang, C.; Fan, Y.; Hornung, U.; Zhu, W.; Dahmen, N. (2020). Char and tar formation during hydrothermal treatment of sewage sludge in subcritical and supercritical water: Effect of organic matter composition and experiments with model compounds. Journal of cleaner production, 242, 118586. doi:10.1016/j.jclepro.2019.118586

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 H

_{2}

_{2}

. ChemSusChem, 13 (12), 3243–3251. doi:10.1002/cssc.202000407

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

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.202000385

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

Wan, S.; Guo, Y.; Häber, T.; Suntz, R.; Deutschmann, O. (2020). Spatially and Temporally Resolved Measurements of NO Adsorption/Desorption over NOx‐Storage Catalyst. ChemPhysChem, cphc.202000765. doi:10.1002/cphc.202000765

Weiss, C.; Sharapa, D. I.; Hirsch, A. (2020). Coronenohelicenes with Dynamic Chirality. Chemistry - a European journal, chem.202001703. doi:10.1002/chem.202001703

Woo, M.; Deutschmann, O.; Wörner, M. (2020). Influence of liquid composition on diffusive mass transfer in the lubricating film of Taylor flow—A study related to the hydrogenation of nitrobenzene. Chemical engineering and processing, 149, Art. Nr.: 107835. doi:10.1016/j.cep.2020.107835

Wörner, M. (2020). A Correlation for the Characteristic Velocity Ratio to Predict Hydrodynamics of Capillary Gas–Liquid Taylor Flow. Theoretical foundations of chemical engineering, 54 (1), 3–16. doi:10.1134/S0040579520010236

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/S1600577520000831

Zakutanská, K.; Feoktystov, A.; Lacková, V.; Tomašovičová, N.; Appel, I.; Behrens, S.; Kopčanský, P. (2020). SANS Study of Liquid Crystal Doped with CoFe

_{2}

_{4}

Nanoparticles. Acta physica Polonica / A, 137 (5), 663–666. doi:10.12693/APhysPolA.137.663

Zengel, D.; Koch, P.; Torkashvand, B.; Grunwaldt, J.-D.; Casapu, M.; Deutschmann, O. (2020). Freisetzung von toxischem HCN bei der Stickoxidreduktion mittels NH₃‐SCR in mager betriebenen Erdgasmotoren. Angewandte Chemie, 132 (34), 14530–14535. doi:10.1002/ange.202003670

Zhan, X.; Yan, C.; Zhang, Y.; Rinke, G.; Rabsch, G.; Klumpp, M.; Schäfer, A. I.; Dittmeyer, R. (2020). Investigation of the reaction kinetics of photocatalytic pollutant degradation under defined conditions with inkjet-printed TiO

_{2}

films – from batch to a novel continuous-flow microreactor. Reaction chemistry & engineering, 5 (9), 1658–1670. doi:10.1039/d0re00238k

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

Zimmermann, R.; Siebert, M.; Ibrahimkutty, S.; Dittmeyer, R.; Armbrüster, M. (2020). Intermetallic GaPd

_{2}

Thin Films for Selective Hydrogenation of Acetylene. Zeitschrift für anorganische und allgemeine Chemie, 646. doi:10.1002/zaac.202000124

Proceedingsbeiträge

Guo, B.; Frey, W.; Hornung, U.; Dahmen, N. (2020). Biorefinery of Microalgae via Combination of Pulsed Electric Field Treatment and Hydrothermal Liquefaction - A Techno-Economic Assessment. 28th European Biomass Conference and Exhibition Proceedings, EUBCE 2020, 526–529, ETA-Florence Renewable Energies, Florence. doi:10.5071/28thEUBCE2020-3BO.3.4

Vorträge

Doronkin, D. E. (2020, Januar 30). QEXAFS-XRD combination at P64, and the high temperature setup at P65. DESY Photon Science Users’ Meeting (2020), Hamburg, Deutschland, 30.–31. Januar 2020.

Bähr, J.; Raffelt, K. (2020, September 28). FT2.3 Verlinkung entlang der Prozesskette "Thermochemische Biomasse-Konversion". (M. Eberhard, Hrsg.), Abschlusskonferenz Energie System 2050 (2020), Berlin, Deutschland, 28.–29. September 2020.

Kornatz, P.; Daniel-Gromke, J.; Thrän, D.; Krautkremer, B.; Mercker, O.; Laub, K.; Matschoss, P.; Musonda, F.; Dahmen, N.; Rösch, C.; Musonda, F. (2020). Bioenergie als intelligenter Baustein für ein nachhaltiges europäisches Energiesystem. FVEE-Jahrestagung (2020 2020), Berlin, Deutschland, 2.–4. November 2020.

Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, Juni 25). Development and Deployment of Diffuse Interface Phase-Field Methods In Openfoam. 15 OpenFOAM Workshop (2020), online, 22.–25. Juni 2020.

Samkhaniani, N.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2020, März 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, Deutschland, 10.–11. März 2020.

Sheppard, T. L. (2020, Januar 30). Sample cells for X-ray ptychography and nanotomography - towards operando chemical imaging of catalysts andfunctional materials. DESY Photon Science Users’ Meeting (2020), Hamburg, Deutschland, 30.–31. Januar 2020.

Straczewski, G.; Garbev, K.; Leibold, H.; Vargas, C.; Zampieri, A.; Dahmen, N. (2020, März 10). Totaloxidation von Kohlenmonoxid und VOCs mit katalytischen Keramik-Filterkerzen. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Deutschland, 10.–11. März 2020.

Wörner, M. (2020, März 11). Tropfendynamik in Wandnähe - Möglichkeiten und Limitierungen von grenzflächenauflösenden Simulationen = Drop dynamics near walls − achievements and limitations of interface-resolving simulations. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Deutschland, 10.–11. März 2020.

Poster

Bagheri, M.; Marschall, H.; Wörner, M. (2020, März 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, Deutschland, 8.–12. März 2020.

Doronkin, D. E.; Marchuk, V.; Casapu, M.; Grunwaldt, J.-D. (2020, Januar 30). Operando XAS study of Pt catalysts for selective oxidation of ammonia. DESY Photon Science Users’ Meeting (2020), Hamburg, Deutschland, 30.–31. Januar 2020.

Doronkin, D. E.; Zimina, A.; Serrer, M.-A.; Pruessmann, T.; Grunwaldt, J.-D. (2020, Januar 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, Deutschland, 29. Januar 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, 21.–24. September 2020.

Zimina, A.; Pruessmann, T.; Doronkin, D. E.; Grunwaldt, J.-D. (2020, Januar 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, Deutschland, 29. Januar 2020.

Forschungsdaten

Becher, J.; Ferreira Sanchez, D. D., Dmitry; Zengel, D.; Motta Meira, D. P., Sakura; Grunwaldt, J.-D.; Sheppard, T. (2020, Oktober 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, Oktober 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: NO + O2 @ 200°C dataset. doi:10.5445/IR/1000122895

Audio & Video

Wetzel, C.; Wiebe, S.; Scheer, D., [Interviewter]. (2020). FAQ reFuels: Wie helfen reFuels bei der Erfüllung von Klimaschutzzielen?. doi:10.5445/IR/1000122862

Wetzel, C.; Wiebe, S.; Wagner, U., [Interviewter]. (2020). FAQ reFuels: Sollen reFuels den Verbrennungsmotor retten?. doi:10.5445/IR/1000118682

Wiebe, S. (2020). reFuels – Kraftstoffe neu denken – mit deutschen Untertiteln. doi:10.5445/IR/1000122938

Wiebe, S. (2020). reFuels – Kraftstoffe neu denken. doi:10.5445/IR/1000122837

Wiebe, S.; Wetzel, C.; Andresh, M., [Interviewter]. (2020). FAQ reFuels: Wie nachhaltig ist die gesamte Prozesskette?. doi:10.5445/IR/1000118410

Wiebe, S.; Wetzel, C.; Arnold, U., [Interviewter]. (2020). FAQ reFuels: Was sind die Herausforderungen bei der Herstellung von reFuels-Ottokraftstoff?. doi:10.5445/IR/1000118740

Wiebe, S.; Wetzel, C.; Dahmen, N., [Interviewter]. (2020). FAQ reFuels: Wie werden reFuels hergestellt?. doi:10.5445/IR/1000118753

Wiebe, S.; Wetzel, C.; Koch, T., [Interviewter]. (2020). FAQ reFuels: Wer ist am reFuels-Projekt beteiligt?. doi:10.5445/IR/1000118742

Wiebe, S.; Wetzel, C.; Toedter, O., [Interviewter]. (2020). FAQ reFuels: Müssen reFuels noch weiterentwickelt werden?. doi:10.5445/IR/1000118747

Wiebe, S.; Wetzel, C.; Weyhing, T., [Interviewter]. (2020). FAQ reFuels: Wirken sich reFuels schädlich auf das Fahrzeug aus?. doi:10.5445/IR/1000118707

Wiebe, S.; Wetzel, C.; Zabihigivi, M., [Interviewter]. (2020). FAQ reFuels: Sind reFuels auch besser für die Umwelt?. doi:10.5445/IR/1000118757

Bilder

Thomas Zevaco, D. R., Axel Funke. (2020). Efilter of the fast pyrolysis plant "Python" after several hours of operation. doi:10.5445/IR/1000120168

(2020). Direct Thermochemical Liquefaction of Biomass to Renewable Fuels. doi:10.5445/IR/1000120883

Zevaco, T. (2020). bioliq 1 - heat carrier cycle. doi:10.5445/IR/1000118109

2019

Buchaufsätze

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

Dissertationen

Elsayed, S. (2019). Gasification of algal biomass in supercritical water with the potential of energy and nutrients recovery. Dissertation. Karlsruhe. doi:10.5445/IR/1000099951

Rohde, V. (2019). Optimierung eines säure-katalysierten Ethanol-Wasser Organosolv-Prozesses für die Biomassen Pappel mit Rinde und Miscanthus G. in Hinblick auf Ligninfraktionierung und -funktionaliserung. Dissertation. Fraunhofer Verlag, Stuttgart.

Zeitschriftenaufsätze

Antritter, T.; Mayer, M.; Hachmann, P.; Wörner, M. (2019). Suppressing artificial equilibrium states caused by spurious currents in droplet spreading simulations with dynamic contact angle model [in press]. Progress in computational fluid dynamics.

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.9b06541

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/C8MH01013G

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.201800755

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/catal9090784

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/MgAl

_{2}

_{4}

: Reactivity, inhibition, and catalyst reactivation. Catalysts, 9 (6), Art.-Nr.: 521. doi:10.3390/catal9060521

Dahmen, N.; Lewandowski, I.; Zibek, S.; Weidtmann, A. (2019). Integrated lignocellulosic value chains in a growing bioeconomy: Status quo and perspectives. Global change biology / Bioenergy, 11 (1), 107–117. doi:10.1111/gcbb.12586

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

Dan, M.; Wei, S.; Doronkin, D. E.; Li, Y.; Zhao, Z.; Yu, S.; Grunwaldt, J.-D.; Lin, Y.; Zhou, Y. (2019). Novel MnS/(In

_{x}

_{1 - x}

)

_{2}

_{3}

composite for robust solar hydrogen sulphide splitting via the synergy of solid solution and heterojunction. Applied catalysis / B, 243, 790–800. doi:10.1016/j.apcatb.2018.11.016

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). 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.9b00804

Fahami, A. R.; Günter, T.; Doronkin, D. E.; Casapu, M.; Zengel, D.; Vuong, T. H.; Simon, M.; Breher, F.; Kucherov, A. V.; Brückner, A.; Grunwaldt, J.-D. (2019). The dynamic nature of Cu sites in Cu-SSZ-13 and the origin of the seagull NOx conversion profile during NH₃-SCR. Reaction chemistry & engineering, 4 (6), 1000–1018. doi:10.1039/c8re00290h

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/S160057751900660X

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.9b02768

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

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

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 [in press]. Angewandte Chemie / International edition. doi:10.1002/anie.201906256

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.201906256

Goncalves, T. J.; Plessow, P. N.; Studt, F. (2019). On the Accuracy of Density Functional Theory in Zeolite Catalysis [in press]. ChemCatChem. doi:10.1002/cctc.201900791

Goncalves, T. J.; Plessow, P. N.; Studt, F. (2019). A Computational Investigation of OME-synthesis through Homogeneous Acid Catalysis. ChemCatChem, 11 (7), 1949–1954. doi:10.1002/cctc.201900115

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

Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2019). CaRMeN: An Improved Computer-Aided Method for Developing Catalytic Reaction Mechanisms. Catalysts, 9 (3), Article No.227. doi:10.3390/catal9030227

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.; Walter, V.; Hornung, U.; Dahmen, N. (2019). Hydrothermal liquefaction of Chlorella vulgaris and Nannochloropsis gaditana in a continuous stirred tank reactor and hydrotreating of biocrude by nickel catalysts. Fuel processing technology, 191, 168–180. doi:10.1016/j.fuproc.2019.04.003

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

Hähsler, M.; Behrens, S. (2019). Dendritic Ligands for Magnetic Suspensions in Liquid Crystals. European journal of organic chemistry, 2019 (48), 7820–7830. doi:10.1002/ejoc.201901450

Haltenort, P.; Lautenschütz, L.; Arnold, U.; Sauer, J. (2019). (Trans)acetalization Reactions for the Synthesis of Oligomeric Oxymethylene Dialkyl Ethers Catalyzed by Zeolite BEA25. Topics in catalysis, 62 (5-6), 551–559. doi:10.1007/s11244-019-01188-9

Hoffmann, V.; Jung, D.; Zimmermann, J.; Rodriguez Correa, C.; Elleuch, A.; Halouani, K.; Kruse, A. (2019). Conductive Carbon Materials from the Hydrothermal Carbonization of Vineyard Residues for the Application in Electrochemical Double-Layer Capacitors (EDLCs) and Direct Carbon Fuel Cells (DCFCs). Materials, 12 (10), 1703. doi:10.3390/ma12101703

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.12647

Ille, Y.; Sánchez, F. A.; Dahmen, N.; Pereda, S. (2019). Multiphase Equilibria Modeling of Fast Pyrolysis Bio-Oils. Group Contribution Associating Equation of State Extension to Lignin Monomers and Derivatives. Industrial & engineering chemistry research, 58 (17), 7318–7331. doi:10.1021/acs.iecr.9b00227

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.2018.10.015

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/c8ta10922b

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

Otromke, M.; Shuttleworth, P. S.; Sauer, J.; White, R. J. (2019). Hydrothermal base catalysed treatment of Kraft lignin - time dependent analysis and a techno-economic evaluation for carbon fibre applications. Bioresource technology reports, 6, 241–250. doi:10.1016/j.biteb.2019.03.008

Otromke, M.; White, R. J.; Sauer, J. (2019). Hydrothermal Base Catalyzed Depolymerization and Conversion of Technical Lignin – An Introductory Review. Carbon Resources Conversion, 2, 59–71. doi:10.1016/j.crcon.2019.01.002

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.12546

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

Schade, O. R.; Dannecker, P.-K.; Kalz, K. F.; Steinbach, D.; Meier, M. A. R.; Grunwaldt, J.-D. (2019). Direct Catalytic Route to Biomass-Derived 2,5-Furandicarboxylic Acid and Its Use as Monomer in a Multicomponent Polymerization. ACS omega, 4 (16), 16972–16979. doi:10.1021/acsomega.9bo2373

Schuler, J.; Hornung, U.; Dahmen, N.; Sauer, J. (2019). Lignin from bark as a resource for aromatics production by hydrothermal liquefaction. Global change biology / Bioenergy, 11 (1), 218–229. doi:10.1111/gcbb.12562

Serrer, M.; Kalz, K. F.; Saraҫi E.; Lichtenberg, H.; Grunwaldt, J. (2019). Role of Iron on the Structure and Stability of Ni3.2Fe/Al2O3 during Dynamic CO2 Methanation for P2X Applications [in press]. ChemCatChem, cctc.201901425. doi:10.1002/cctc.201901425

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

Sharapa, D. I.; Genaev, A.; Cavallo, L.; Minenkov, Y. (2019). A Robust and Cost‐Efficient Scheme for Accurate Conformational Energies of Organic Molecules. ChemPhysChem, 20 (1), 92–102. doi:10.1002/cphc.201801063

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/molecules24193492

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.201901719

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/C9CP01529A

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

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

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/Al

_{2}

_{3}

catalysts. Applied catalysis / A, 585, Art.-Nr.: 117150. doi:10.1016/j.apcata.2019.117150

Wang, C.; Zhu, W.; Chen, C.; Zhang, H.; Fan, Y.; Mu, B.; Zhong, J. (2019). Behavior of Phosphorus in Catalytic Supercritical Water Gasification of Dewatered Sewage Sludge: The Conversion Pathway and Effect of Alkaline Additive. Energy & fuels, 33 (2), 1290–1295. doi:10.1021/acs.energyfuels.8b04054

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, X.; Stökle, K.; Becker, G. C.; Zimmermann, M.; Kruse, A. (2019). Hydrothermal carbonization of Spirulina platensis and Chlorella vulgaris combined with protein isolation and struvite production. Bioresource technology reports, 6, 159–167. doi:10.1016/j.biteb.2019.01.006

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.201800217

Proceedingsbeiträge

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:10.1088/1755-1315/301/1/012034

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.

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.

Vorträge

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, Deutschland, 25.–26. Juni 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, Deutschland, 18.–23. August 2019.

Cai, X.; Samkhaniani, N.; Wörner, M.; Frohnapfel, B. (2019, Mai 10). Numerische Simulation von Tropfenaufprall und Filmbildung an der Wand. 7. Boysen Doktoranden-Treffen (2019), Altensteig, Deutschland, 8.–10. Mai 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, Deutschland, 31. März–5. April 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, Deutschland, 18.–23. August 2019.

Doronkin, D. E.; Deschner, B. J.; Sheppard, T. L.; Selinsek, M.; Dittmeyer, R.; Grunwaldt, J.-D. (2019, Januar). Operando XAS at high pressure: observing Pd nanoparticles catalyzing direct synthesis of hydrogen peroxide. DESY Photon Science Users’ Meeting (2019), Hamburg, Deutschland, 24.–25. Januar 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, Deutschland, 18.–23. August 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, Irland, 16.–20. Juni 2019.

Grunwaldt, J.-D. (2019, März). Tracking the active center in single site and supported metal catalysts. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 25.–26. September 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, 23.–28. Juni 2019.

Lott, P.; Gremminger, A.; Boubnov, A.; Doronkin, D.; Eck, M.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, März). Regeneration strategies for methane oxidation catalysts. 4th North American Symposium on Chemical Reaction Engineering (NASCRE 2019), Houston, TX, USA, 10.–13. März 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, Deutschland, 7.–8. Februar 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, August). Copper-based methanol catalysts applied in the direct dimethyl ether synthesis from CO₂-rich syngas. 14th European Congress on Catalysis (EuropaCat 2019), Aachen, Deutschland, 18.–23. August 2019.

Polierer, S.; Wild, S.; Herrera Delgado, K.; Grunwaldt, J.-D.; Kind, M.; Pitter, S. (2019, Juni 25). CO₂-rich syngas, an option for energy-related chemical processes?. 17th International Conference on Carbon Dioxide Utilization (ICCDU 2019), Aachen, Deutschland, 23.–27. Juni 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, Deutschland, 18.–23. August 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, Deutschland, 18.–23. August 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, Deutschland, 17.–18. September 2019.

Serrer, M.-A.; Kalz, K. F.; Saraci, E.; Lichtenberg, H.; Grunwaldt, J.-D. (2019, Juni). 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, 23.–28. Juni 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, Italien, 9.–11. September 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, Frankreich, 17.–21. Juni 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, Frankreich, 4.–6. Februar 2019.

Sheppard, T.; Fam, Y.; Becher, J.; Diaz, A.; Holler, M.; Wittstock, A.; Falkenberg, G.; Schropp, A.; Schroer, C.; Grunwaldt, J.-D. (2019, März). 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, 10.–14. März 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, Deutschland, 18.–23. August 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, Deutschland, 18.–23. August 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, Deutschland, 18.–23. August 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, Deutschland, 19.–20. März 2019.

Wild, S.; Delgado Otalvaro, N.; Guse, D.; Herrera Delgado, K.; Kind, M.; Pitter, S.; Sauer, J.; Karla, H. (2019, Mai 28). Catalyst performance studies for the direct DME synthesis from variable CO/CO2/H2 feeds. Jahrestreffen Reaktionstechnik gemeinsam mit der Fachgruppe Mehrphasenströmungen (2019), Würzburg, Deutschland, 27.–29. Mai 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, Deutschland, 11.–13. September 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, Deutschland, 23.–24. Mai 2019.

Poster

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, Finnland, 23.–27. September 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, Januar). 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, Deutschland, 24.–25. Januar 2019.

Becher, J.; Sheppard, T.; Meira, D. M.; Sanchez, D. F.; Doronkin, D.; Pascarelli, S.; Grunwaldt, J.-D. (2019, Februar). Operando Spectrotomographic 3D Imaging of Heterogeneous Catalysts with Energy-Dispersive XAS. ESRF User Meeting (2019), Grenoble, Frankreich, 4.–6. Februar 2019.

Becher, J.; Sheppard, T.; Meira, D. M.; Sanchez, D. F.; Doronkin, D.; Pascarelli, S.; Grunwaldt, J.-D. (2019, März). Operando spectrotomographic 3D imaging of structured honeycomb Cu-SSZ-13 exhaust gas catalyst at work. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 27.–29. Mai 2019.

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, Deutschland, 18.–23. August 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, Deutschland, 18.–23. August 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, Deutschland, 8.–10. September 2019.

Fam, Y.; Becher, J.; Scherer, T.; Marek, P.; Wang, W.; Wang, D.; Wittstock, A.; Sheppard, T. L.; Grunwaldt, J.-D. (2019, Februar). Multimodal Nanotomography Studies of Heterogeneous Catalysts with Electrons, Ions, and X-rays. KNMF User Meeting (2019), Karlsruhe, Deutschland, 19.–20. Februar 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, Deutschland, 24.–25. Januar 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, März). Design of in situ cells for 2D and 3D X-ray and electron microscopy in catalysis research. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 18.–23. August 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), Lissabon, Portugal, 27.–30. Mai 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, Deutschland, 18.–23. August 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, Deutschland, 13.–15. März 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, Deutschland, 18.–23. August 2019.

Lott, P.; Eck, M.; Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, März). 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, Deutschland, 13.–15. März 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), Florenz, Italien, 15.–19. September 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, Deutschland, 27.–29. Mai 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, März). Synthesis and characterization of copper-based catalysts applied in the one-step dimethyl ether synthesis. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 13.–15. März 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, Deutschland, 18.–23. August 2019.

Serrer, M.; Zimina, A.; Kalz, K.; Lichtenberg, H.; Grunwaldt, J.-D. (2019, März). Operando XAS and XRD studies of the superior stability of Ni₃Fe/Al₂O₃ under dynamic CO₂ methanation. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 18.–23. August 2019.

Stehle, M.; Sprenger, P.; Sheppard, T.; Suuronen, J.; Gaur, A.; Benzi, F.; Grunwaldt, J.-D. (2019, März). Monitoring the structural evolution of multicomponent catalysts for selective propylene oxidation. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 2019.

Stoll, I. K.; Boukis, N.; Sauer, J. (2019). Syngas fermentation at elevated pressure - experimental results. 27th European Biomass Conference and Exhibition (EUBCE 2019), Lissabon, Portugal, 27.–30. Mai 2019.

Straß-Eifert, A.; Sheppard, T.; Damsgaard, C.; Grunwaldt, J.-D.; Güttel, R. (2019, März). Environmental Transmission Electron Microscopy on a Co@HZSM5 Catalyst Active in Fischer-Tropsch Synthesis. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Deutschland, 13.–15. März 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, Deutschland, 8.–10. September 2019.

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, Deutschland, 18.–23. August 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, Deutschland, 11.–13. September 2019.

Zengel, D.; Fahami, A.; Günter, T.; Doronkin, D. E.; Casapu, M.; Vuong, T.; Brückner, A.; Grunwaldt, J.-D. (2019, März). 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, Deutschland, 13.–15. März 2019.

2018

Buchaufsätze

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

Dissertationen

Cavusoglu, G. (2018). Preparation and Characterization of Catalysts for Efficient Hydrogen Production via the High Temperature Water Gas Shift Reaction. Dissertation. KIT, Karlsruhe. doi:10.5445/IR/1000079508

Gentzen, M. (2018). Multifunktionale nanopartikuläre Katalysatoren als Modellsysteme für die Synthesegaschemie. Dissertation. KIT, Karlsruhe.

Mutz, B. (2018). Methanation of CO₂: Insight into deactivation mechanisms and catalyst stability under dynamic reaction conditions. Dissertation. KIT, Karlsruhe. doi:10.5445/IR/1000083073

Otromke, M. (2018). Base Catalysed Hydrothermal Reformation of Kraft Lignin. Dissertation. KIT, Karlsruhe. doi:10.5445/IR/1000083761

Woo, M. (2018). Numerical simulation of gas-liquid Taylor flow with catalyzed heterogeneous reaction. Dissertation. KIT, Karlsruhe. doi:10.5445/IR/1000078320

Zeitschriftenaufsätze

Arnold, S.; Moss, K.; Dahmen, N.; Henkel, M.; Hausmann, R. (2018). Pretreatment strategies for microbial valorization of bio-oil fractions produced by fast pyrolysis of ash-rich lignocellulosic biomass. Global change biology / Bioenergy, 11 (SI, 1), 181–190. doi:10.1111/gcbb.12544

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

Boscagli, C.; Tomasi Morgano, M.; Raffelt, K.; Leibold, H.; Grunwaldt, J.-D. (2018). Influence of feedstock, catalyst, pyrolysis and hydrotreatment temperature on the composition of upgraded oils from intermediate pyrolysis. Biomass and bioenergy, 116, 236–248. doi:10.1016/j.biombioe.2018.06.022

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/catal8100449

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

Dieguez-Alonso, A.; Funke, A.; Anca-Couce, A.; Rombolà, A.; Ojeda, G.; Bachmann, J.; Behrendt, F. (2018). Towards Biochar and Hydrochar Engineering—Influence of Process Conditions on Surface Physical and Chemical Properties, Thermal Stability, Nutrient Availability, Toxicity and Wettability. Energies, 11 (3), 496. doi:10.3390/en11030496

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. J.; Zhu, W.; Gong, M.; Su, Y.; Wang, C. Y. (2018). Investigation of the interaction between intermediates from gasification of biomass in supercritical water: Formaldehyde/formic acid mixtures. International journal of hydrogen energy, 43 (29), 13090–13097. doi:10.1016/j.ijhydene.2018.05.118

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

Funke, A.; Grandl, R.; Ernst, M.; Dahmen, N. (2018). Modelling and improvement of heat transfer coefficient in auger type reactors for fast pyrolysis application. Chemical engineering and processing, 130, 67–75. doi:10.1016/j.cep.2018.05.023

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

Giehr, A.; Maier, L.; Schunk, S. A.; Deutschmann, O. (2018). Thermodynamic Considerations on the Oxidation State of Co/γ-Al₂O₃ and Ni/γ-Al₂O₃ Catalysts under Dry and Steam Reforming Conditions. ChemCatChem, 10 (4), 751–757. doi:10.1002/cctc.201701376

Gong, M.; Wang, Y.; Fan, Y.; Zhu, W.; Zhang, H.; Su, Y. (2018). Polycyclic aromatic hydrocarbon formation during the gasification of sewage sludge in sub- and supercritical water: Effect of reaction parameters and reaction pathways. Waste management, 72, 287–295. doi:10.1016/j.wasman.2017.11.024

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

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

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

Henrich, T.; Abeln, J.; Betz, M. (2018). Einstufige Dimethylethersynthese: Modellierung der Kinetik aus isothermen, experimentellen Daten [Direct Dimethyl Ether Synthesis: Modelling of the Kinetics from Isothermal, Experimental Data]. Chemie - Ingenieur - Technik, 90 (3), 307–315. doi:10.1002/cite.201600131

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

Kruse, A.; Zevaco, T. (2018). Properties of Hydrochar as Function of Feedstock, Reaction Conditions and Post-Treatment. Energies, 11 (3), 674. doi:10.3390/en11030674

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

Langhorst, T.; Toedter, O.; Koch, T.; Niethammer, B.; Arnold, U.; Sauer, J. (2018). Investigations on Spark and Corona Ignition of Oxymethylene Ether-1 and Dimethyl Carbonate Blends with Gasoline by High-Speed Evaluation of OH* Chemiluminescence. SAE International journal of fuels and lubricants, 11 (1), 5–20. doi:10.4271/04-11-01-0001

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

Mutz, B.; Sprenger, P.; Wang, W.; Wang, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Operando Raman Spectroscopy on CO₂ Methanation Over Alumina-Supported Ni, Ni₃Fe and NiRh

_{0.1}

Catalysts : Role of Carbon Formation as Possible Deactivation Pathway. Applied catalysis / A, 556, 160–171. doi:10.1016/j.apcata.2018.01.026

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.201700117

Oestreich, D.; Lautenschütz, L.; Arnold, U.; Sauer, J. (2018). Production of oxymethylene dimethyl ether (OME)-hydrocarbon fuel blends in a one-step synthesis/extraction procedure. Fuel, 214, 39–44. doi:10.1016/j.fuel.2017.10.116

Oswald, F.; Stoll, I. K.; Zwick, M.; Herbig, S.; Sauer, J.; Boukis, N.; Neumann, A. (2018). Formic Acid Formation by

C l o s t r i d i u m

l j u n g d a h l i i

at Elevated Pressures of Carbon Dioxide and Hydrogen. Frontiers in Bioengineering and Biotechnology, 6, Art.Nr. 6. doi:10.3389/fbioe.2018.00006

Otromke, M.; Shuttleworth, P. S.; Sauer, J.; White, R. J. (2018). Hydrothermal base catalysed treatment of Kraft Lignin for the preparation of a sustainable carbon fibre precursor. Bioresource technology reports, 5, 251–260. doi:10.1016/j.biteb.2018.11.001

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

Plessow, P. N. (2018). Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans. Journal of chemical theory and computation, 14 (2), 981–990. doi:10.1021/acs.jctc.7b01070

Plessow, P. N.; Studt, F. (2018). Olefin methylation and cracking reactions in H-SSZ-13 investigated with ab initio and DFT calculations. Catalysis science & technology, 8 (17), 4420–4429. doi:10.1039/C8CY01194J

Plessow, P. N.; Studt, F. (2018). Theoretical Insights into the Effect of the Framework on the Initiation Mechanism of the MTO Process. Catalysis letters, 148 (4), 1246–1253. doi:10.1007/s10562-018-2330-7

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

Schade, O. R.; Kalz, K. F.; Neukum, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Supported gold- and silver-based catalysts for the selective aerobic oxidation of 5-(hydroxymethyl)furfural to 2,5-furandicarboxylic acid and 5-hydroxymethyl-2-furancarboxylic acid. Green chemistry, 20 (15), 3530–3541. doi:10.1039/C8GC01340C

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-z

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

_{2 +}

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

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

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

Steinbach, D.; Kruse, A.; Sauer, J.; Vetter, P. (2018). Sucrose Is a Promising Feedstock for the Synthesis of the Platform Chemical Hydroxymethylfurfural. Energies, 11 (3), 645. doi:10.3390/en11030645

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

Woo, M.; Wörner, M.; Tischer, S.; Deutschmann, O. (2018). Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models. Heat and mass transfer, 54 (3), 697–713. doi:10.1007/s00231-017-2145-x

Wörner, M.; Cai, X.; Alla, H.; Yue, P. (2018). A semi-analytical method to estimate the effective slip length of spreading spherical-cap shaped droplets using Cox theory. Fluid dynamics research, 50 (3), 035501. doi:10.1088/1873-7005/aaaef6

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

Proceedingsbeiträge

Betz, M.; Arnold, U.; Sauer, J. (2018). Synthese von aromatenfreiem Benzin aus Ethanol. 1. Deutsches Doktorandenkolloquium BioenergieDBFZ Tagungsreader, Nr. 13, 172–182, DBFZ, Leipzig.

Fan, Y.; Hornung, U.; Dahmen, N.; Kruse, A. (2018). Formation of n-containing heterocycles from hydrothermal liquefaction of model compounds and sewage sludge. 26th European Biomass Conference and Exhibition, EUBCE 2018; Copenhagen, DK, May 14-17, 2018, 1158–1162, ETA-Florence Renewable Energies. doi:10.5071/26thEUBCE2018-3CV.6.4

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/1000085345