Institute of Catalysis Research and Technology (IKFT)

Publications


2021
Book Chapters
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125. 
Journal Articles
Alizadehfanaloo, S.; Garrevoet, J.; Seyrich, M.; Murzin, V.; Becher, J.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G.; Schropp, A. (2021). Tracking dynamic structural changes in catalysis by rapid 2D-XANES microscopy. Journal of synchrotron radiation, 28 (5). doi:10.1107/S1600577521007074
Amsler, J.; Plessow, P. N.; Studt, F.; Bučko, T. (2021). Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration. Journal of chemical theory and computation, 17 (2), 1155–1169. doi:10.1021/acs.jctc.0c01022
Awasthi, M. K.; Rai, R. K.; Behrens, S.; Singh, S. K. (2021). Low-temperature hydrogen production from methanol over a ruthenium catalyst in water. Catalysis science & technology, 11 (1), 136–142. doi:10.1039/d0cy01470b
Bartenbach, D.; Wenzel, O.; Popescu, R.; Faden, L.; Reiß, A.; Kaiser, M.; Zimina, A.; Grunwaldt, J.; Gerthsen, D.; Feldmann, C. (2021). Liquid‐Phase Synthesis of Highly Reactive Rare‐Earth Metal Nanoparticles. Angewandte Chemie / International edition, 60 (32), 17373–17377. doi:10.1002/anie.202104955Full textFull text of the publication as PDF document
Becher, J.; Sanchez, D. F.; Doronkin, D. E.; Zengel, D.; Meira, D. M.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Chemical gradients in automotive Cu-SSZ-13 catalysts for NO removal revealed by operando X-ray spectrotomography. Nature catalysis, 4, 46–53. doi:10.1038/s41929-020-00552-3Full textFull text of the publication as PDF document
Becher, J.; Weber, S.; Ferreira Sanchez, D.; Doronkin, D. E.; Garrevoet, J.; Falkenberg, G.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Sample Environment for Operando Hard X-ray Tomography—An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis. Catalysts, 11 (4), Art.-Nr.: 459. doi:10.3390/catal11040459Full textFull text of the publication as PDF document
Cao, Y.; Guo, L.; Dan, M.; Doronkin, D. E.; Han, C.; Rao, Z.; Liu, Y.; Meng, J.; Huang, Z.; Zheng, K.; Chen, P.; Dong, F.; Zhou, Y. (2021). Modulating electron density of vacancy site by single Au atom for effective CO photoreduction. Nature Communications, 12 (1), Art.-Nr.: 1675. doi:10.1038/s41467-021-21925-7Full textFull text of the publication as PDF document
Cattaneo, S.; Capelli, S.; Stucchi, M.; Bossola, F.; Dal Santo, V.; Araujo-Lopez, E.; Sharapa, D. I.; Studt, F.; Villa, A.; Chieregato, A.; Vandegehuchte, B. D.; Prati, L. (2021). Discovering the role of substrate in aldehyde hydrogenation. Journal of Catalysis, 399, 162–169. doi:10.1016/j.jcat.2021.05.012
Czioska, S.; Boubnov, A.; Escalera-López, D.; Geppert, J.; Zagalskaya, A.; Röse, P.; Saraçi, E.; Alexandrov, V.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2021). Increased Ir–Ir Interaction in Iridium Oxide during the Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. ACS catalysis, 11 (15), 10043–10057. doi:10.1021/acscatal.1c02074
Dadvand, A.; Bagheri, M.; Samkhaniani, N.; Marschall, H.; Wörner, M. (2021). Advected phase-field method for bounded solution of the Cahn–Hilliard Navier–Stokes equations. Physics of fluids, 33 (5), Art.-Nr.: 053311. doi:10.1063/5.0048614
Delgado Otalvaro, N.; Gül Bilir, P.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Modeling the Direct Synthesis of Dimethyl Ether using Artificial Neural Networks. Chemie - Ingenieur - Technik, 93 (5), 754–761. doi:10.1002/cite.202000226Full textFull text of the publication as PDF document
Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Effect of Selectivity Enhancers on the Structure of Palladium during High-Pressure Continuous-Flow Direct Synthesis of Hydrogen Peroxide in Ethanol. The journal of physical chemistry <Washington, DC> / C, acs.jpcc.0c11246. doi:10.1021/acs.jpcc.0c11246Full textFull text of the publication as PDF document
Dietrich, C.; Chen, S.; Uzunidis, G.; Hähsler, M.; Träutlein, Y.; Behrens, S. (2021). Bimetallic Pd/Sn‐based Nanoparticles and their Catalytic Properties in the Semihydrogenation of Diphenylacetylene. ChemistryOpen, 10 (2), 296–304. doi:10.1002/open.202000298
Drexler, M.; Haltenort, P.; Zevaco, T. A.; Arnold, U.; Sauer, J. (2021). Synthesis of tailored oxymethylene ether (OME) fuels via transacetalization reactions. Sustainable energy & fuels, 5 (17), 4311–4326. doi:10.1039/d1se00631bFull textFull text of the publication as PDF document
Egeberg, A.; Faden, L.-P.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid-phase Synthesis of Highly Oxophilic Zerovalent Niobium and Tantalum Nanoparticles. Chemical communications. doi:10.1039/D1CC00681A
Eggart, D.; Zimina, A.; Cavusoglu, G.; Casapu, M.; Doronkin, D. E.; Lomachenko, K. A.; Grunwaldt, J.-D. (2021). Versatile and high temperature spectroscopic cell for operando fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts. Review of scientific instruments, 92 (2), Art.-Nr. 023106. doi:10.1063/5.0038428Full textFull text of the publication as PDF document
Escalera-López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraçi, E.; Krewer, U.; Grunwaldt, J.-D.; Cherevko, S. (2021). Phase- and Surface Composition-Dependent Electrochemical Stability of Ir-Ru Nanoparticles during Oxygen Evolution Reaction. ACS catalysis, 9300–9316. doi:10.1021/acscatal.1c01682
Fan, Y.; Fonseca, F. G.; Gong, M.; Hoffmann, A.; Hornung, U.; Dahmen, N. (2021). Energy valorization of integrating lipid extraction and hydrothermal liquefaction of lipid-extracted sewage sludge. Journal of cleaner production, 285, Art.Nr. 124895. doi:10.1016/j.jclepro.2020.124895
Gaur, A.; Sharma, D.; Nitin Nair, N.; Mehta, B. K.; Shrivastava, B. D.; Gogoi, M.; Sarmah, N.; Das, B. K. (2021). Investigating cubane formation and effect of co-crystallization agents in oxo-bridged Co complexes using X-ray absorption spectroscopy. Journal of molecular structure, 1244, Art.-Nr.: 130869. doi:10.1016/j.molstruc.2021.130869
Goncalves, T. J.; Plessow, P. N.; Studt, F. (2021). Theoretical Study on the NO Selective Catalytic Reduction on Single-Cu Sites and Brønsted Acid Sites in Cu-SSZ-13. The journal of physical chemistry <Washington, DC> / C, 125 (23), 12594–12602. doi:10.1021/acs.jpcc.1c01066
Goodman, E. D.; Carlson, E. Z.; Dietze, E. M.; Tahsini, N.; Johnson, A.; Aitbekova, A.; Nguyen Taylor, T.; Plessow, P. N.; Cargnello, M. (2021). Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena. Nanoscale, 13 (2), 930–938. doi:10.1039/d0nr07960j
Gossler, S.; Ruwe, L.; Yuan, W.; Yang, J.; Chen, X.; Schmitt, S.; Maier, L.; Kohse-Höinghaus, K.; Qi, F.; Deutschmann, O. (2021). Exploring the interaction kinetics of butene isomers and NO at low temperatures and diluted conditions. Combustion and Flame, 233, Art.-Nr.: 111557. doi:10.1016/j.combustflame.2021.111557Full textFull text of the publication as PDF document
Hähsler, M.; Nádasi, H.; Feneberg, M.; Marino, S.; Giesselmann, F.; Behrens, S.; Eremin, A. (2021). Magnetic Tilting in Nematic Liquid Crystals Driven by Self‐Assembly. Advanced functional materials, 2101847. doi:10.1002/adfm.202101847Full textFull text of the publication as PDF document
Halim, R.; Papachristou, I.; Kubisch, C.; Nazarova, N.; Wüstner, R.; Steinbach, D.; Chen, G. Q.; Deng, H.; Frey, W.; Posten, C.; Silve, A. (2021). Hypotonic osmotic shock treatment to enhance lipid and protein recoveries from concentrated saltwater Nannochloropsis slurries. Fuel, 287, Art.-Nr.: 119442. doi:10.1016/j.fuel.2020.119442Full textFull text of the publication as PDF document
Hoeven, J. E. S. van der; Jelic, J.; Olthof, L. A.; Totarella, G.; Dijk-Moes, R. J. A. van; Krafft, J.-M.; Louis, C.; Studt, F.; Blaaderen, A. van; Jongh, P. E. de. (2021). Unlocking synergy in bimetallic catalysts by core–shell design. Nature Materials. doi:10.1038/s41563-021-00996-3
Karp, S. G.; Medina, J. D. C.; Letti, L. A. J.; Woiciechowski, A. L.; Carvalho, J. C. de; Schmitt, C. C.; Oliveira Penha, R. de; Kumlehn, G. S.; Soccol, C. R. (2021). Bioeconomy and biofuels: the case of sugarcane ethanol in Brazil. Biofuels, Bioproducts and Biorefining. doi:10.1002/bbb.2195
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Wild, S.; Studt, F.; Pitter, S.; Sauer, J. (2021). Correction: Surface reaction kinetics of the methanol synthesis and the water gas shift reaction on Cu/ZnO/AlO. Reaction chemistry & engineering, 6 (8), 1483–1486. doi:10.1039/d1re90031eFull textFull text of the publication as PDF document
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Wild, S.; Studt, F.; Pitter, S.; Sauer, J. (2021). Surface reaction kinetics of the methanol synthesis and the water gas shift reaction on Cu/ZnO/Al₂O₃. Reaction chemistry & engineering. doi:10.1039/D1RE00040C
Liebertseder, M.; Wang, D.; Cavusoglu, G.; Casapu, M.; Wang, S.; Behrens, S.; Kübel, C.; Grunwaldt, J.-D.; Feldmann, C. (2021). NaCl-template-based synthesis of TiO₂-Pd/Pt hollow nanospheres for H₂O₂ direct synthesis and CO oxidation. Nanoscale, 13 (3), 2005–2011. doi:10.1039/d0nr08871dFull textFull text of the publication as PDF document
Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y. (2021). Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol. Applied catalysis / B, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695
Marquart, W.; Raseale, S.; Prieto, G.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Claeys, M.; Fischer, N. (2021). CO2 Reduction over Mo2C-Based Catalysts. ACS catalysis, 11, 1624–1639. doi:10.1021/acscatal.0c05019
Mazzanti, S.; Cao, S.; ten Brummelhuis, K.; Völkel, A.; Khamrai, J.; Sharapa, D. I.; Youk, S.; Heil, T.; Tarakina, N. V.; Strauss, V.; Ghosh, I.; König, B.; Oschatz, M.; Antonietti, M.; Savateev, A. (2021). All-organic Z-scheme photoreduction of CO2 with water as the donor of electrons and protons. Applied catalysis / B, 285, 119773. doi:10.1016/j.apcatb.2020.119773
Naina, V. R.; Wang, S.; Sharapa, D. I.; Zimmermann, M.; Hähsler, M.; Niebl-Eibenstein, L.; Wang, J.; Wöll, C.; Wang, Y.; Singh, S. K.; Studt, F.; Behrens, S. (2021). Shape-Selective Synthesis of Intermetallic Pd₃Pb Nanocrystals and Enhanced Catalytic Properties in the Direct Synthesis of Hydrogen Peroxide. ACS catalysis, 11 (4), 2288–2301. doi:10.1021/acscatal.0c03561
Niebel, A.; Funke, A.; Pfitzer, C.; Dahmen, N.; Weih, N.; Richter, D.; Zimmerlin, B. (2021). Fast Pyrolysis of Wheat Straw - Improvements of Operational Stability in 10 Years of Bioliq Pilot Plant Operation. Energy and Fuels, 35 (14), 11333–11345. doi:10.1021/acs.energyfuels.1c00851
Obeid, F.; Van, T. C.; Guo, B.; Surawski, N. C.; Hornung, U.; Brown, R. J.; Ramirez, J. A.; Thomas-Hall, S. R.; Stephens, E.; Hankamer, B.; Rainey, T. (2021). The fate of nitrogen and sulphur during co-liquefaction of algae and bagasse: Experimental and multi-criterion decision analysis. Biomass and bioenergy, 151, Art.Nr. 106119. doi:10.1016/j.biombioe.2021.106119
Pandit, L.; Boubnov, A.; Behrendt, G.; Mockenhaupt, B.; Chowdhury, C.; Jelic, J.; Hansen, A.-L.; Saraci, E.; Ras, E.-J.; Behrens, M.; Studt, F.; Grunwaldt, J.-D. (2021). Unravelling the Zn‐Cu Interaction during Activation of a Zn‐promoted Cu/MgO Model Methanol Catalyst. ChemCatChem, cctc.202100692. doi:10.1002/cctc.202100692
Raupp, Y. S.; Löser, P. S.; Behrens, S.; Meier, M. A. R. (2021). Selective Catalytic Epoxide Ring-Opening of Limonene Dioxide with Water. ACS sustainable chemistry & engineering, 9 (23), 7713–7718. doi:10.1021/acssuschemeng.1c01788
Schäfer, B.; Toro Chacón, F. A.; Brinkmann, T.; Drews, A.; Jochem, E.; Sauer, J. (2021). Bewertung von Energieeffizienztechnologien mit der Methodik EDUAR&D an zwei Beispielen. Chemie - Ingenieur - Technik, 93 (8), 1247–1256. doi:10.1002/cite.202000251Full textFull text of the publication as PDF document
Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2021). Homogeneous conversion of NO and NH with CH, CO, and CH at the diluted conditions of exhaust-gases of lean operated natural gas engines. International journal of chemical kinetics, 53 (2), 213–229. doi:10.1002/kin.21435Full textFull text of the publication as PDF document
Schumann, M.; Nielsen, M. R.; Smitshuysen, T. E. L.; Hansen, T. W.; Damsgaard, C. D.; Yang, A.-C. A.; Cargnello, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M. (2021). Rationalizing an Unexpected Structure Sensitivity in Heterogeneous Catalysis - CO Hydrogenation over Rh as a Case Study. ACS Catalysis, 11 (9), 5189–5201. doi:10.1021/acscatal.0c05002
Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Trends in the Reactivity of Proximate Aluminum Sites in H-SSZ-13. Journal of Physical Chemistry C, 125 (30), 16508–16515. doi:10.1021/acs.jpcc.1c03509
Soares Dias, A. P.; Gomes Fonseca, F.; Catarino, M.; Gomes, J. (2021). Biodiesel Glycerin Valorization into Oxygenated Fuel Additives. Catalysis Letters. doi:10.1007/s10562-021-03646-0
Sprenger, P.; Stehle, M.; Gaur, A.; Weiß, J.; Brueckner, D.; Zhang, Y.; Garrevoet, J.; Suuronen, J.-P.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Chemical imaging of mixed metal oxide catalysts for propylene oxidation: from model binary systems to complex multicomponent systems. ChemCatChem, 13 (10), 2483–2493. doi:10.1002/cctc.202100054Full textFull text of the publication as PDF document
Stehle, M.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Besser, H.; Pfleging, W.; Grunwaldt, J.-D. (2021). Spatial activity profiling along a fixed bed of powder catalyst during selective oxidation of propylene to acrolein. Catalysis science & technology. doi:10.1039/D1CY00553G
Taghipour, A.; Hornung, U.; Ramirez, J. A.; Brown, R. J.; Rainey, T. J. (2021). Aqueous phase recycling in catalytic hydrothermal liquefaction for algal biomass and the effect on elemental accumulation and energy efficiency. Journal of cleaner production, 289, Article: 125582. doi:10.1016/j.jclepro.2020.125582
Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Hard X‐ray Nanotomography for 3D Analysis of Coking in Nickel‐based Catalysts. Angewandte Chemie / International edition. doi:10.1002/anie.202106380
Wild, S.; Polierer, S.; Zevaco, T. A.; Guse, D.; Kind, M.; Pitter, S.; Delgado, K. H.; Sauer, J. (2021). Direct DME synthesis on CZZ/H-FER from variable CO/CO syngas feeds. RSC Advances, 11 (5), 2556–2564. doi:10.1039/d0ra09754cFull textFull text of the publication as PDF document
Wollak, B.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Alizadefanaloo, S.; Rosowski, F.; Schroer, C.; Grunwaldt, J.-D.; Horn, R. (2021). Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling. Journal of catalysis. doi:10.1016/j.jcat.2021.08.029
Wörner, M.; Samkhaniani, N.; Cai, X.; Wu, Y.; Majumdar, A.; Marschall, H.; Frohnapfel, B.; Deutschmann, O. (2021). Spreading and rebound dynamics of sub-millimetre urea-water-solution droplets impinging on substrates of varying wettability. Applied mathematical modelling, 95, 53–73. doi:10.1016/j.apm.2021.01.038
Conference Papers
Fan, Y.; Hornung, U.; Dahmen, N. (2021). Challenges and strategies of hydrothermal liquefaction of sewage sludge. 29th European Biomass Conference and Exhibition, EUBCE 2021, 26th to 29th April 2021, Marseille & Online, 773–780. 
Göller, A.; Jungstand, B.; Dahmen, N.; Raffelt, K. (2021). Microwave spectroscopy for pyrolytic bio-slurries. 13th International Conference on Electromagnetic Wave Interaction with Water and Moist Substances (ISEMA), 1–6, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ISEMA49699.2021.9508275
Sauer, J.; Kolb, T.; Pfeifer, P.; Müller-Langer, F.; Klemm, M.; Jürgens, S.; Peters, R.; Hadrich, M. J.; Schaadt, A.; Harnisch, F.; Zuberbühler, U. (2021). Synthetische Kraftstoffe - Technologien, Prozessketten, Kohlenstoffquellen und Produkte. FVEE-Jahrestagung 2020, 43–47. 
Schmitt, C. C.; Moreira, R.; Raffelt, K.; Hoj, M.; Jensen, A. D.; Grunwaldt, J.-D.; Dahmen, N. (2021). Evaluation of nickel-based catalysts for hydrotreatment of bio-oil model compound mixtures in a continuous flow reactor: Selectivity and resistance to sulfur poisoning. European Biomass Conference and Exhibition Proceedings, 29th European Biomass Conference and Exhibition, EUBCE 2021, Virtual, Online, 26 April 2021 - 29 April 2021, 934–941, ETA-Florence Renewable Energies. 
Presentations
Dahmen, N.; Koch, T.; Rauch, R.; Sauer, J.; Toedter, O. (2021, January 18). Advanced fuels for the existing fleet – Results from the reFuels project. 18th International Conference on Renewable Mobility "Fuels of the Future" (2021), Online, January 18–22, 2021. 
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2021, March 19). Tracking the structure of Pt single sites on CeO₂ and their CO, C₃H₆ and CH₄ oxidation activity. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Unravelling the Pore Structure of a Ni/Al₂O₃ Catalyst by Tomography. 23rd JCF Frühjahrssymposium (2021), Online, March 29–April 1, 2021. 
Weber, S.; Batey, D.; Cipiccia, S.; Sheppard, T. L. (2021, August 29). X-ray Nanotomography Reveals Coking of Nickel-based Catalysts Spatially-Resolved in 3D. GDCh-Wissenschaftsforum Chemie : Chemists create solutions (WiFo 2021), Online, August 29–September 1, 2021. 
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kulkarni, S.; Keller, T.; Gläser, R.; Sheppard, T. L. (2021, August 13). Following Calcination and Porosity Evolution with Nanometer Resolution by Ptychographic X-ray Microscopy. 104th IUPAC CCCE 2021 - 104th Canadian Chemistry Conference and Exhibition : Solving Global Challenges with Chemistry (IUPAC | CCCE 2021), Online, August 13–20, 2021. 
Weber, S.; Sheppard, T. L. (2021, January). Demanding Sample Environment and Preparation for in situ Ptychographic X-ray Microscopy Studies of Nickel-based Methanation Catalysts. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2021), Online, January 25–29, 2021. 
Posters
Eggart, D.; Huang, X.; Zimina, A.; Pan, X.; Grunwaldt, J.-D. (2021, March 17). Platinum doped ceria catalysts for direct conversion of methane. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Perret, L.; Dominke, X.; Stoll, I. K.; Boukis, N.; Sauer, J. (2021, April). Efficiency enhancement of synthesis gas fermentation with Clostridium ljungdahlii by the use of cell retention in a contin-uously operated stirred tank reactor (CSTR). 29th European Biomass Conference and Exhibition (EUBCE 2021), Online, April 20–29, 2021. 
Samkhaniani, N.; Stroh, A.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2021, March 10). Drop impingement on heated hydrophobic surfaces. Jahrestreffen der ProcessNet-Fachgruppen "Abfallbehandlung und Wertstoffrückgewinnung, Energieverfahrenstechnik, Gasreinigung, Hochtemperaturtechnik, Rohstoffe" (2017), Frankfurt am Main, Germany, March 21–23, 2017. Full textFull text of the publication as PDF document
Saraci, E.; Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Barcikowski, S.; Grunwaldt, J.-D. (2021, March). Selective Aerobic Oxidation of 5-(Hydroxymethyl)furfural over Silver-Gold Alloyed Nanoparticle Catalysts. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L. (2021, March). Porosity and Structural Analysis of a Hierarchical Porous Ni/Al₂O₃ Catalyst for CO₂ Methanation. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Schunk, S. (2021, March 19). Novel Plasma Synthesis of Mayenite-based Electrides and their Catalytic Application for Ammonia Synthesis. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, March 16–19, 2021. 
Weber, S.; Sheppard, T. L. (2021, February). Porosity Analysis of Ni/Al₂O₃ Catalysts by Multi-scale Tomography. 5th Annual Workshop on Advances in X-ray Imaging (2021), Online, February 1–2, 2021. 
2020
PhD Theses
Schuler, J. (2020, March 2). Hydrothermal liquefaction of lignin. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000117444Full textFull text of the publication as PDF document
Journal Articles
Alhnidi, M.-J.; Wüst, D.; Funke, A.; Hang, L.; Kruse, A. (2020). Fate of Nitrogen, Phosphate, and Potassium during Hydrothermal Carbonization and the Potential for Nutrient Recovery. ACS sustainable chemistry & engineering, 8 (41), 15507–15516. doi:10.1021/acssuschemeng.0c04229
Amsharov, K.; Sharapa, D. I.; Vasilyev, O. A.; Oliver, M.; Hauke, F.; Goerling, A.; Soni, H.; Hirsch, A. (2020). Fractal-seaweeds type functionalization of graphene. Carbon, 158, 435–448. doi:10.1016/j.carbon.2019.11.008
Amsler, J.; Sarma, B. B.; Agostini, G.; Prieto, G.; Plessow, P. N.; Studt, F. (2020). Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts. Journal of the American Chemical Society, 142 (11), 5087–5096. doi:10.1021/jacs.9b12171
Anca-Couce, A.; Tsekos, C.; Retschitzegger, S.; Zimbardi, F.; Funke, A.; Banks, S.; Kraia, T.; Marques, P.; Scharler, R.; Jong, W. de; Kienzl, N. (2020). Biomass pyrolysis TGA assessment with an international round robin. Fuel, 276, Art. Nr.: 118002. doi:10.1016/j.fuel.2020.118002Full textFull text of the publication as PDF document
Araujo-Lopez, E.; Joos, L.; Vandegehuchte, B. D.; Sharapa, D. I.; Studt, F. (2020). Theoretical Investigations of (Oxidative) Dehydrogenation of Propane to Propylene over Palladium Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (5), 3171–3176. doi:10.1021/acs.jpcc.9b11424
Araujo-Lopez, E.; Vandegehuchte, B. D.; Curulla-Ferré, D.; Sharapa, D. I.; Studt, F. (2020). Trends in the Activation of Light Alkanes on Transition-Metal Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (50), 27503–27510. doi:10.1021/acs.jpcc.0c08076
Arvidsson, A. A.; Plessow, P. N.; Studt, F.; Hellman, A. (2020). Influence of Acidity on the Methanol-to-DME Reaction in Zeotypes: A First Principles-Based Microkinetic Study. The journal of physical chemistry <Washington, DC> / C, 124 (27), 14658–14663. doi:10.1021/acs.jpcc.0c03125
Börnhorst, M.; Kuntz, C.; Tischer, S.; Deutschmann, O. (2020). Urea derived deposits in diesel exhaust gas after-treatment: Integration of urea decomposition kinetics into a CFD simulation. Chemical engineering science, 211, Article No.115319. doi:10.1016/j.ces.2019.115319
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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
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Perilli, D.; Di Valentin, C.; Studt, F. (2020). Can Single Metal Atoms Trapped in Defective h-BN/Cu(111) Improve Electrocatalysis of the H Evolution Reaction?. The journal of physical chemistry <Washington, DC> / C, 124 (43), 23690–23698. doi:10.1021/acs.jpcc.0c06750
Plessow, P. N.; Studt, F. (2020). How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?. The journal of physical chemistry letters, 11 (11), 4305–4310. doi:10.1021/acs.jpclett.0c01240
Polierer, S.; Guse, D.; Wild, S.; Herrera Delgado, K.; Otto, T. N.; Zevaco, T. A.; Kind, M.; Sauer, J.; Studt, F.; Pitter, S. (2020). Enhanced Direct Dimethyl Ether Synthesis from CO-Rich Syngas with Cu/ZnO/ZrO Catalysts Prepared by Continuous Co-Precipitation. Catalysts, 10 (8), Article: 816. doi:10.3390/catal10080816Full textFull text of the publication as PDF document
Rai, R. K.; Awasthi, M. K.; Singh, V. K.; Barman, S. R.; Behrens, S.; Singh, S. K. (2020). Aqueous Phase Semihydrogenation of Alkynes over Ni-Fe Bimetallic Catalysts. Catalysis science & technology, 10 (15), 4968–4980. doi:10.1039/D0CY01153C
Sarma, B. B.; Plessow, P. N.; Agostini, G.; Concepción, P.; Pfänder, N.; Kang, L.; Wang, F. R.; Studt, F.; Prieto, G. (2020). Metal-Specific Reactivity in Single-Atom Catalysts: CO Oxidation on 4d and 5d Transition Metals Atomically Dispersed on MgO. Journal of the American Chemical Society, 142 (35), 14890–14902. doi:10.1021/jacs.0c03627
Sarma, B. B.; Kim, J.; Amsler, J.; Agostini, G.; Weidenthaler, C.; Pfänder, N.; Arenal, R.; Concepción, P.; Plessow, P.; Studt, F.; Prieto, G. (2020). One-Pot Cooperation of Single-Atom Rh and Ru Solid Catalysts for a Selective Tandem Olefin Isomerization-Hydrosilylation Process. Angewandte Chemie / International edition, 59 (14), 5806–5815. doi:10.1002/anie.201915255Full textFull text of the publication as PDF document
Schade, O.; Dolcet, P.; Nefedov, A.; Huang, X.; Saraçi, E.; Wöll, C.; Grunwaldt, J.-D. (2020). The Influence of the Gold Particle Size on the Catalytic Oxidation of 5-(Hydroxymethyl)furfural. Catalysts, 10 (3), Article: 342. doi:10.3390/catal10030342Full textFull text of the publication as PDF document
Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Saraci, E.; Barcikowski, S.; Grunwaldt, J.-D. (2020). Selective aerobic oxidation of 5‐(hydroxymethyl)furfural over heterogeneous silver‐gold nanoparticle catalysts. Advanced synthesis & catalysis, 362 (24), 5681–5696. doi:10.1002/adsc.202001003Full textFull text of the publication as PDF document
Schmitt, C. C.; Moreira, R.; Neves, R. C.; Richter, D.; Funke, A.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2020). From agriculture residue to upgraded product: The thermochemical conversion of sugarcane bagasse for fuel and chemical products. Fuel processing technology, 197, Article: 106199. doi:10.1016/j.fuproc.2019.106199Full textFull text of the publication as PDF document
Schropp, A.; Döhrmann, R.; Botta, S.; Brückner, D.; Kahnt, M.; Lyubomirskiy, M.; Ossig, C.; Scholz, M.; Seyrich, M.; Stuckelberger, M. E.; Wiljes, P.; Wittwer, F.; Garrevoet, J.; Falkenberg, G.; Fam, Y.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G. (2020). PtyNAMi: ptychographic nano-analytical microscope. Journal of applied crystallography, 53 (4), 957–971. doi:10.1107/S1600576720008420Full textFull text of the publication as PDF document
Şen, A. U.; Fonseca, F. G.; Funke, A.; Pereira, H.; Lemos, F. (2020). Pyrolysis kinetics and estimation of chemical composition of Quercus cerris cork. Biomass Conversion and Biorefinery. doi:10.1007/s13399-020-00964-y
Serrer, M.-A.; Gaur, A.; Jelic, J.; Weber, S.; Fritsch, C.; Clark, A. H.; Saraçi, E.; Studt, F.; Grunwaldt, J.-D. (2020). Structural dynamics in Ni–Fe catalysts during CO₂ methanation - role of iron oxide clusters. Catalysis science & technology, 10 (22), 7542–7554. doi:10.1039/D0CY01396JFull textFull text of the publication as PDF document
Smitshuysen, T. E. L.; Nielsen, M. R.; Pruessmann, T.; Zimina, A.; Sheppard, T. L.; Grunwaldt, J.-D.; Chorkendorff, I.; Damsgaard, C. D. (2020). Optimizing Ni-Fe-Ga alloys into Ni2FeGa for the hydrogenation of CO2 into methanol. ChemCatChem, 12 (12), 3265–3273. doi:10.1002/cctc.202000174
Stadnichenko, A.; Svintsitskiy, D.; Kibis, L.; Fedorova, E.; Stonkus, O.; Slavinskaya, E.; Lapin, I.; Fakhrutdinova, E.; Svetlichnyi, V.; Romanenko, A.; Doronkin, D.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A. (2020). Influence of Titania Synthesized by Pulsed Laser Ablation on the State of Platinum during Ammonia Oxidation. Applied Sciences, 10 (14), Art. Nr.: 4699. doi:10.3390/app10144699Full textFull text of the publication as PDF document
Steiner, A.; Sharapa, D. I.; Troyanov, S. I.; Nuss, J.; Amsharov, K. (2020). Carbon Origami via an Alumina-Assisted Cyclodehydrofluorination Strategy. Chemistry - A European Journal, 2021 (27), 1–8. doi:10.1002/chem.202003448Full textFull text of the publication as PDF document
Świątek, K.; Gaag, S.; Klier, A.; Kruse, A.; Sauer, J.; Steinbach, D. (2020). Acid hydrolysis of lignocellulosic biomass: Sugars and furfurals formation. Catalysts, 10 (4), Article no: 437. doi:10.3390/catal10040437Full textFull text of the publication as PDF document
Thrän, D.; Bauschmann, M.; Dahmen, N.; Erlach, B.; Heinbach, K.; Hirschl, B.; Hildebrand, J.; Rau, I.; Majer, S.; Oehmichen, K.; Schweizer-Ries, P.; Hennig, C. (2020). Bioenergy beyond the German “Energiewende”–Assessment framework for integrated bioenergy strategies. Biomass and bioenergy, 142, Art.-Nr.: 105769. doi:10.1016/j.biombioe.2020.105769
Wang, S.; Doronkin, D. E.; Hähsler, M.; Huang, X.; Wang, D.; Grunwaldt, J.-D.; Behrens, S. (2020). Palladium-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of Hydrogen Peroxide. ChemSusChem, 13 (12), 3243–3251. doi:10.1002/cssc.202000407Full textFull text of the publication as PDF document
Wang, S.; Lewis, R. J.; Doronkin, D. E.; Morgan, D. J.; Grunwaldt, J.-D.; Hutchings, G. J.; Behrens, S. (2020). The direct synthesis of hydrogen peroxide from H₂ and O₂ using Pd–Ga and Pd–In catalysts. Catalysis science & technology, 10 (6), 1925–1932. doi:10.1039/C9CY02210DFull textFull text of the publication as PDF document
Wang, W.; Sharapa, D. I.; Chandresh, A.; Nefedov, A.; Heißler, S.; Heinke, L.; Studt, F.; Wang, Y.; Wöll, C. (2020). Interplay of Electronic and Steric Effects to Yield Low‐Temperature CO Oxidation at Metal Single Sites in Defect‐Engineered HKUST‐1. Angewandte Chemie / International edition, 59 (26), 10514–10518. doi:10.1002/anie.202000385Full textFull text of the publication as PDF document
Wan, S.; Torkashvand, B.; Häber, T.; Suntz, R.; Deutschmann, O. (2020). Investigation of HCHO Catalytic Oxidation over Platinum using Planar Laser-Induced Fluorescence. Applied catalysis / B, 264, Article: 118473. doi:10.1016/j.apcatb.2019.118473
Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L. (2020). Porosity and Structure of Hierarchically Porous Ni/Al₂O₃ Catalysts for CO₂ Methanation. Catalysts, 10 (12), Art. Nr.: 1471. doi:10.3390/catal10121471Full textFull text of the publication as PDF document
Weiss, C.; Sharapa, D. I.; Hirsch, A. (2020). Coronenohelicenes with Dynamic Chirality. Chemistry - a European journal, 26 (62), 14100–14108. doi:10.1002/chem.202001703Full textFull text of the publication as PDF document
Wodarz, S.; Slaby, N. A.; Zimmermann, M. C.; Otto, T. N.; Holzinger, J.; Skibsted, J.; Zevaco, T. A.; Pitter, S.; Sauer, J. (2020). Shaped Hierarchical H-ZSM-5 Catalysts for the Conversion of Dimethyl Ether to Gasoline. Industrial & engineering chemistry research, 59 (40), 17689–17707. doi:10.1021/acs.iecr.9b06256
Yang, X.; Kahnt, M.; Brückner, D.; Schropp, A.; Fam, Y.; Becher, J.; Grunwaldt, J.-D.; Sheppard, T. L.; Schroer, C. G. (2020). Tomographic reconstruction with a generative adversarial network. Journal of synchrotron radiation, 27 (2), 486–493. doi:10.1107/S1600577520000831Full textFull text of the publication as PDF document
Yu, J.; Yang, M.; Zhang, J.; Ge, Q.; Zimina, A.; Pruessmann, T.; Zheng, L.; Grunwaldt, J.-D.; Sun, J. (2020). Stabilizing Cu in Cu/SiO Catalysts with a Shattuckite-Like Structure Boosts CO2 Hydrogenation into Methanol. ACS catalysis, 10 (24), 14694–14706. doi:10.1021/acscatal.0c04371
Zakutanská, K.; Feoktystov, A.; Lacková, V.; Tomašovičová, N.; Appel, I.; Behrens, S.; Kopčanský, P. (2020). SANS Study of Liquid Crystal Doped with CoFeO Nanoparticles. Acta physica Polonica / A, 137 (5), 663–666. doi:10.12693/APhysPolA.137.663
Zhao, Z.; Doronkin, D. E.; Ye, Y.; Grunwaldt, J.-D.; Huang, Z.; Zhou, Y. (2020). Visible light-enhanced photothermal CO2 hydrogenation over Pt/Al2O3 catalyst. Chinese journal of catalysis, 41 (2), 286–293. doi:10.1016/S1872-2067(19)63445-5Full textFull text of the publication as PDF document
Zimmermann, R.; Siebert, M.; Ibrahimkutty, S.; Dittmeyer, R.; Armbrüster, M. (2020). Intermetallic GaPd Thin Films for Selective Hydrogenation of Acetylene. Zeitschrift für anorganische und allgemeine Chemie, 646 (14), 1218–1226. doi:10.1002/zaac.202000124Full textFull text of the publication as PDF document
Conference Papers
Arnold, U.; Drexler, M.; Haltenort, P.; Sauer, J. (2020). Catalytic (trans)acetalization reactions for the production of oxymethylene ether (OME) fuels. Fuel Science - From Production to Propulsion : 8th International Conference, June 23 to 25, 2020, Online ; Book of Abstracts ; #fuelscience2020, 53–55, The Fuel Science Center (FSC). 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Oxymethylene ethers (OMEs) as diesel fuels: State of the art and perspectives. DGMK-Conference The Future of Chemicals and Fuels – Feedstocks and Process Technologies, October 7-9, 2020, Web Conference, Deutsche Wissenschaftliche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK). 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Production of oxymethylene ether as renewable liquid fuel in an anhydrous process. 3rd Doctoral Colloquium Bioenergy : Leipzig, September 17-18, 2020, Web Conference, Book of Abstracts, 126–127, Deutsches Biomasseforschungszentrum (DBFZ). 
Guo, B.; Frey, W.; Hornung, U.; Dahmen, N. (2020). Biorefinery of Microalgae via Combination of Pulsed Electric Field Treatment and Hydrothermal Liquefaction - A Techno-Economic Assessment. 28th European Biomass Conference and Exhibition Proceedings, EUBCE 2020, 526–529, ETA-Florence Renewable Energies. doi:10.5071/28thEUBCE2020-3BO.3.4
Toedter, O.; Dahmen, N.; Wagner, U.; Scheer, D.; Koch, T.; Sauer, J. (2020). reFuels - rethinking Fuels for CO2 neutral mobility. SIA 2020 digital Powertain & Energy. 
Presentations
Arnold, U.; Drexler, M.; Haltenort, P.; Sauer, J. (2020). Catalytic (trans)acetalization reactions for the production of oxymethylene ether (OME) fuels. 8th International Conference Fuel Science - From Production to Propulsion (2020), Online, June 23–25, 2020. 
Doronkin, D. E. (2020, January 30). QEXAFS-XRD combination at P64, and the high temperature setup at P65. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Bähr, J.; Raffelt, K. (2020, September 28). FT2.3 Verlinkung entlang der Prozesskette "Thermochemische Biomasse-Konversion". (M. Eberhard, Ed.), Abschlusskonferenz Energie System 2050 (2020), Berlin, Germany, September 28–29, 2020. Full textFull text of the publication as PDF document
Kornatz, P.; Daniel-Gromke, J.; Thrän, D.; Krautkremer, B.; Mercker, O.; Laub, K.; Matschoss, P.; Musonda, F.; Dahmen, N.; Rösch, C.; Musonda, F. (2020). Bioenergie als intelligenter Baustein für ein nachhaltiges europäisches Energiesystem. FVEE-Jahrestagung (2020), Berlin, Germany, November 2–4, 2020. 
Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, October 12). Simulation of droplet impact at high dynamics using a diffuse interface phase-field methods in OpenFOAM. International Conference on Advances in Differential Equations and Numerical Analysis (ADENA 2020), Online, October 12–15, 2020. Full textFull text of the publication as PDF document
Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, June 25). Development and Deployment of Diffuse Interface Phase-Field Methods In Openfoam. 15 OpenFOAM Workshop (2020), Online, June 22–26, 2020. Full textFull text of the publication as PDF document
Samkhaniani, N.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2020, March 11). Reproducing the rich physics of drop impingement experiments on hydrophobic surfaces by phase field simulations. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Germany, March 10–11, 2020. 
Sheppard, T. L. (2020, January 30). Sample cells for X-ray ptychography and nanotomography - towards operando chemical imaging of catalysts andfunctional materials. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Straczewski, G.; Garbev, K.; Leibold, H.; Vargas, C.; Zampieri, A.; Dahmen, N. (2020, March 10). Totaloxidation von Kohlenmonoxid und VOCs mit katalytischen Keramik-Filterkerzen. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Gasreinigung (2020), Bamberg, Germany, March 10–11, 2020. Full textFull text of the publication as PDF document
Posters
Bagheri, M.; Marschall, H.; Wörner, M. (2020, March 9). Interface-resolving simulation of droplet impact on liquid film of the same fluids using the phase-field method. 715. WE-Heraeus Seminar (2020), Bad Honnef, Germany, March 8–12, 2020. Full textFull text of the publication as PDF document
Doronkin, D. E.; Marchuk, V.; Casapu, M.; Grunwaldt, J.-D. (2020, January 30). Operando XAS study of Pt catalysts for selective oxidation of ammonia. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2020), Hamburg, Germany, January 30–31, 2020. 
Doronkin, D. E.; Zimina, A.; Serrer, M.-A.; Pruessmann, T.; Grunwaldt, J.-D. (2020, January 29). Operando X-ray Absorption Spectroscopy (XAS) under industrially relevant conditions at the CAT-ACT beamline. GeCatS Infoday "Operando Spectroscopy in Catalysis – Time to Implement this Methodology in Industry" (2020), Frankfurt am Main, Germany, January 29, 2020. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Oxymethylene ethers (OMEs) as diesel fuels: State of the art and perspectives. DGMK-Conference The Future of Chemicals and Fuels – Feedstocks and Process Technologies (2020), Online, October 8, 2020. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2020). Production of oxymethylene ether as renewable liquid fuel in an anhydrous process. 3rd Doctoral Colloquium BIOENERGY (2020), Online, September 14–18, 2020. 
Marchuk, V.; Doronkin, D.; Grunwaldt, J.-D. (2020, January 28). Operando QEXAFS study of ammonia slip catalysts during realistic driving cycles. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2021), Online, January 25–29, 2021. 
Wörner, M. (2020, September 24). Hydrodynamische Charakterisierung der Taylorströmung in kreisförmigen Kapillaren auf Basis vorab bekannter Parameter. 10./34. ProcessNet-Jahrestagung und DECHEMA-Jahrestagung der Biotechnologen (2020), Online, September 21–24, 2020. Full textFull text of the publication as PDF document
Zimina, A.; Pruessmann, T.; Doronkin, D. E.; Grunwaldt, J.-D. (2020, January 29). CAT-ACT - A highly versatile X-ray spectroscopy beamline for catalysis science at KIT. GeCatS Infoday "Operando Spectroscopy in Catalysis – Time to Implement this Methodology in Industry" (2020), Frankfurt am Main, Germany, January 29, 2020. 
Research Data
Becher, J.; Ferreira Sanchez, D. D., Dmitry; Zengel, D.; Motta Meira, D. P., Sakura; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 300°C dataset. doi:10.5445/IR/1000122890
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: NO + O2 @ 200°C dataset. doi:10.5445/IR/1000122895
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: NH3 @ 200°C dataset. doi:10.5445/IR/1000122894
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 400°C dataset. doi:10.5445/IR/1000122893
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 350°C dataset. doi:10.5445/IR/1000122892
Becher, J.; Ferreira Sanchez, D.; Doronkin, D.; Zengel, D.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. (2020, October 20). Full-Field XANES tomography data of a Cu-SSZ-13 washcoated monolith: SCR @ 200°C dataset. doi:10.5445/IR/1000122874
Audio & Video
2019
Book Chapters
Arnold, U.; Haltenort, P.; Herrera Delgado, K.; Niethammer, B.; Sauer, J. (2019). Die Rolle von Dimethylether (DME) als Schlüsselbaustein synthetischer Kraftstoffe aus erneuerbaren Rohstoffen. Zukünftige Kraftstoffe : Energiewende des Transports als ein weltweites Klimaziel. Hrsg.: W. Maus, 532–561, Vieweg Verlag. doi:10.1007/978-3-662-58006-6_22
Journal Articles
Becher, J.; Sheppard, T. L.; Fam, Y.; Baier, S.; Wang, W.; Wang, D.; Kulkarni, S.; Keller, T. F.; Lyubomirskiy, M.; Brueckner, D.; Kahnt, M.; Schropp, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019). Mapping the Pore Architecture of Structured Catalyst Monoliths from Nanometer to Centimeter Scale with Electron and X-ray Tomographies. The journal of physical chemistry <Washington, DC> / C, 123 (41), 25197–25208. doi:10.1021/acs.jpcc.9b06541Full textFull text of the publication as PDF document
Becker, G. C.; Wüst, D.; Köhler, H.; Lautenbach, A.; Kruse, A. (2019). Novel approach of phosphate-reclamation as struvite from sewage sludge by utilising hydrothermal carbonization. Journal of environmental management, 238, 119–125. doi:10.1016/j.jenvman.2019.02.121
Benel, C.; Fischer, A.; Zimina, A.; Steininger, R.; Kruk, R.; Hahn, H.; Léon, A. (2019). Controlling the structure and magnetic properties of cluster-assembled metallic glasses. Materials Horizons, 6 (4), 727–732. doi:10.1039/C8MH01013GFull textFull text of the publication as PDF document
Benzinger, W.; Daymo, E.; Hettel, M.; Maier, L.; Antinori, C.; Pfeifer, P.; Deutschmann, O. (2019). Reverse Water Gas Shift (RWGS) over Ni - Spatially-Resolved Measurements and Simulations. The chemical engineering journal, 362, 430–441. doi:10.1016/j.cej.2019.01.038
Blondal, K.; Jelic, J.; Mazeau, E.; Studt, F.; West, R. H.; Goldsmith, F. C. (2019). Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum. Industrial & engineering chemistry, 58 (38), 17682–17691. doi:10.1021/acs.iecr.9b01464
Börnhorst, M.; Cai, X.; Wörner, M.; Deutschmann, O. (2019). Maximum Spreading of Urea Water Solution during Drop Impingement. Chemical engineering & technology, 42 (11), 2419–2427. doi:10.1002/ceat.201800755Full textFull text of the publication as PDF document
Carriel Schmitt, C.; Zimina, A.; Fam, Y.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2019). Evaluation of High-Loaded Ni-Based Catalysts for Upgrading Fast Pyrolysis Bio-Oil. Catalysts, 9 (9), Article: 784. doi:10.3390/catal9090784Full textFull text of the publication as PDF document
Dabros, T. M. H.; Andersen, M. L.; Lindahl, S. B.; Hansen, T. W.; Høj, M.; Gabrielsen, J.; Grunwaldt, J.-D.; Jensen, A. D. (2019). Hydrodeoxygenation (HDO) of aliphatic oxygenates and phenol over NiMo/MgAlO: Reactivity, inhibition, and catalyst reactivation. Catalysts, 9 (6), Art.-Nr.: 521. doi:10.3390/catal9060521Full textFull text of the publication as PDF document
Damergi, E.; Madi, H.; Sharma, S.; Boukis, N.; Marechal, F.; Van Herle, J.; Ludwig, C. (2019). A combined hydrothermal gasification - solid oxide fuel cell system for sustainable production of algal biomass and energy. Algal Research, 41, Art. Nr.: 101552. doi:10.1016/j.algal.2019.101552
Dietze, E. M.; Pleßow, P. N. (2019). Predicting the Strength of Metal–Support Interaction with Computational Descriptors for Adhesion Energies. The journal of physical chemistry <Washington, DC> / C, 123 (33), 20443–20450. doi:10.1021/acs.jpcc.9b06893
Dietze, E. M.; Pleßow, P. N.; Studt, F. (2019). Modeling the Size Dependency of the Stability of Metal Nanoparticles. The journal of physical chemistry <Washington, DC> / C, 123 (41), 25464–25469. doi:10.1021/acs.jpcc.9b06952
Doronkin, D. E.; Benzi, F.; Zheng, L.; Sharapa, D. I.; Amidani, L.; Studt, F.; Roesky, P. W.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D. (2019). NH-SCR over V-W/TiO Investigated by Operando X-ray Absorption and Emission Spectroscopy. The journal of physical chemistry <Washington, DC> / C, 123 (23), 14338–14349. doi:10.1021/acs.jpcc.9b00804Full textFull text of the publication as PDF document
Fahami, A. R.; Günter, T.; Doronkin, D. E.; Casapu, M.; Zengel, D.; Vuong, T. H.; Simon, M.; Breher, F.; Kucherov, A. V.; Brückner, A.; Grunwaldt, J.-D. (2019). The dynamic nature of Cu sites in Cu-SSZ-13 and the origin of the seagull NOx conversion profile during NH₃-SCR. Reaction chemistry & engineering, 4 (6), 1000–1018. doi:10.1039/c8re00290hFull textFull text of the publication as PDF document
Fam, Y.; Sheppard, T. L.; Becher, J.; Scherhaufer, D.; Lambach, H.; Kulkarni, S.; Keller, T. F.; Wittstock, A.; Wittwer, F.; Seyrich, M.; Brueckner, D.; Kahnt, M.; Yang, X.; Schropp, A.; Stierle, A.; Schroer, C. G.; Grunwaldt, J.-D. (2019). A versatile nanoreactor for complementary in situ X-ray and electron microscopy studies in catalysis and materials science. Journal of synchrotron radiation, 26 (5), 1769–1781. doi:10.1107/S160057751900660XFull textFull text of the publication as PDF document
Fonseca, F. G.; Funke, A.; Niebel, A.; Soares Dias, A. P.; Dahmen, N. (2019). Moisture content as a design and operational parameter for fast pyrolysis. Journal of analytical and applied pyrolysis, 139, 73–86. doi:10.1016/j.jaap.2019.01.012Full textFull text of the publication as PDF document
Gänzler, A. M.; Casapu, M.; Doronkin, D. E.; Maurer, F.; Lott, P.; Glatzel, P.; Votsmeier, M.; Deutschmann, O.; Grunwaldt, J.-D. (2019). Unravelling the Different Reaction Pathways for Low Temperature CO Oxidation on Pt/CeO2 and Pt/Al2O3 by Spatially Resolved Structure–Activity Correlations. The journal of physical chemistry letters, 10 (24), 7698–7705. doi:10.1021/acs.jpclett.9b02768Full textFull text of the publication as PDF document
Gaur, A.; Hartmann Dabros, T. M.; Høj, M.; Boubnov, A.; Prüssmann, T.; Jelic, J.; Studt, F.; Jensen, A. D.; Grunwaldt, J.-D. (2019). Probing the Active Sites of MoS 2 Based Hydrotreating Catalysts Using Modulation Excitation Spectroscopy. ACS catalysis, 9 (3), 2568–2579. doi:10.1021/acscatal.8b04778Full textFull text of the publication as PDF document
Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2019). Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO-Rich Synthesis Gas. Angewandte Chemie / International edition, 58 (44), 15655–15659. doi:10.1002/anie.201906256Full textFull text of the publication as PDF document
Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Li, H.; Jelic, J.; Studt, F.; Grunwaldt, J.; Sauer, J.; Behrens, S. (2019). Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO‐Rich Synthesis Gas. Angewandte Chemie, 131 (44), 15802–15806. doi:10.1002/ange.201906256Full textFull text of the publication as PDF document
Goncalves, T. J.; Plessow, P. N.; Studt, F. (2019). On the Accuracy of Density Functional Theory in Zeolite Catalysis. ChemCatChem, 11 (17), 4368–4376. doi:10.1002/cctc.201900791
Goodman, E. D.; Johnston-Peck, A. C.; Dietze, E. M.; Wrasman, C. J.; Hoffman, A. S.; Abild-Pedersen, F.; Bare, S. R.; Plessow, P. N.; Cargnello, M. (2019). Catalyst deactivation via decomposition into single atoms and the role of metal loading. Nature catalysis, 2, 748–755. doi:10.1038/s41929-019-0328-1
Gudun, K. A.; Segizbayev, M.; Adamov, A.; Plessow, P. N.; Lyssenko, K. A.; Balanay, M. P.; Khalimon, A. Y. (2019). POCN Ni(II) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities. Dalton transactions, 48 (5), 1732–1746. doi:10.1039/C8DT04854A
Guo, B.; Yang, B.; Silve, A.; Akaberi, S.; Scherer, D.; Papachristou, I.; Frey, W.; Hornung, U.; Dahmen, N. (2019). Hydrothermal liquefaction of residual microalgae biomass after pulsed electric field-assisted valuables extraction. Algal Research, 43, 101650. doi:10.1016/j.algal.2019.101650
Horlamus, F.; Wang, Y.; Steinbach, D.; Vahidinasab, M.; Wittgens, A.; Rosenau, F.; Henkel, M.; Hausmann, R. (2019). Potential of biotechnological conversion of lignocellulose hydrolyzates by Pseudomonas putida KT2440 as a model organism for a bio‐based economy. Global change biology / Bioenergy, 11 (12), 1421–1434. doi:10.1111/gcbb.12647Full textFull text of the publication as PDF document
Jamshidi, F.; Heimel, H.; Hasert, M.; Cai, X.; Deutschmann, O.; Marschall, H.; Wörner, M. (2019). On suitability of phase-field and algebraic volume-of-fluid OpenFOAM® solvers for gas-liquid microfluidic applications. Computer physics communications, 236, 72–85. doi:10.1016/j.cpc.2018.10.015Full textFull text of the publication as PDF document
Kahnt, M.; Becher, J.; Brückner, D.; Fam, Y.; Sheppard, T.; Weissenberger, T.; Wittwer, F.; Grunwaldt, J.-D.; Schwieger, W.; Schroer, C. G. (2019). Coupled ptychography and tomography algorithm improves reconstruction of experimental data. Optica, 6 (10), 1282–1289. doi:10.1364/OPTICA.6.001282
Koch, T.; Sauer, J.; Toedter, O.; Hirth, T. (2019). reFuels - Notwendigkeit und Herausforderungen. Automobiltechnische Zeitschrift, 24 (S 2), 28–31. 
Kulsha, A. V.; Sharapa, D. I. (2019). Superhalogen and Superacid. Journal of computational chemistry, 40 (26), 2293–2300. doi:10.1002/jcc.26007
Li, J.; Ye, Y.; Ye, L.; Su, F.; Ma, Z.; Huang, J.; Xie, H.; Doronkin, D. E.; Zimina, A.; Grunwaldt, J.-D.; Zhou, Y. (2019). Sunlight induced photo-thermal synergistic catalytic CO2 conversion via localized surface plasmon resonance of MoO3-x. Journal of materials chemistry / A, 7 (6), 2821–2830. doi:10.1039/c8ta10922bFull textFull text of the publication as PDF document
Liu, S.; Zhao, Z.-J.; Yang, C.; Zha, S.; Neyman, K. M.; Studt, F.; Gong, J. (2019). Adsorption preference determines segregation direction: A shortcut to more realistic surface models of alloy catalysts. ACS catalysis, 9 (6), 5011–5018. doi:10.1021/acscatal.9b00499
Md Dostagir, S. N. H.; Awasthi, M. K.; Kumar, A.; Gupta, K.; Behrens, S.; Shrotri, A.; Singh, S. K. (2019). Selective Catalysis for Room-Temperature Hydrogenation of Biomass-Derived Compounds over Supported NiPd Catalysts in Water. ACS sustainable chemistry & engineering, 7 (10), 9352–9359. doi:10.1021/acssuschemeng.9b00486
Plessow, P. N.; Smith, A.; Tischer, S.; Studt, F. (2019). Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics. Journal of the American Chemical Society, 141 (14), 5908–5915. doi:10.1021/jacs.9b00585
Polierer, S.; Jelic, J.; Pitter, S.; Studt, F. (2019). On the Reactivity of the Cu/ZrO₂ System for the Hydrogenation of CO₂ to Methanol: A Density Functional Theory Study. The journal of physical chemistry <Washington, DC> / C, 123 (44), 26904–26911. doi:10.1021/acs.jpcc.9b06500
Rohde, V.; Böringer, S.; Tübke, B.; Adam, C.; Dahmen, N.; Schmiedl, D. (2019). Fractionation of three different lignins by thermal separation techniques - A comparative study. Global change biology / Bioenergy, 11 (SI, 1), 206–217. doi:10.1111/gcbb.12546Full textFull text of the publication as PDF document