Publikationen


2022
Zeitschriftenaufsätze
Trinkies, L. L.; Düll, A.; Zhang, J.; Urban, S.; Deschner, B. J.; Kraut, M.; Ladewig, B. P.; Weltin, A.; Kieninger, J.; Dittmeyer, R. (2022). Investigation of mass transport processes in a microstructured membrane reactor for the direct synthesis of hydrogen peroxide. Chemical engineering science, 248, Ar. Nr.: 117145. doi:10.1016/j.ces.2021.117145VolltextVolltext der Publikation als PDF-Dokument
Poster
Baumgarten, L.; Neukum, D.; Saraçi, E.; Grunwaldt, J.-D. (2022, Januar 11). 5-(hydroxymethyl) furfural (HMF) as platform molecule from bio-based feedstocks for noble metal based selective oxidations. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Boubnov, A. (2022, Januar 11). X-Ray Spectroscopy on Zinc in Methanol Catalysts: Using Theory to Understand Experimental Data. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Czioska, S.; Boubnov, A.; Escalera-Lopez, D.; Geppert, J.; Röse, P.; Saraçi, E.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2022, Januar 10). Mechanistic and Structural Investigation of OER Catalysts by Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Escalera López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraҫi E.; Krewer, U.; Grunwaldt, J.-D.; Guay, D.; Cherevko, S. (2022, Januar 10). Strategies to uncover activity-stability relationships in Ir-based catalysts for water splitting. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Schulte, M. L.; Chacko, R.; Serrer, M.-A.; Stehle, M.; Angeli, S.; Gossler, H.; Shirsath, A. B.; Saraçi, E.; Deutschmann, O.; Grunwaldt, J.-D. (2022, Januar 10). Spatially-Resolved Insights into Local Activity and Structure of Ni Based CO2 Methanation Catalysts in Fixed-Bed Reactors. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Titus, J.; Abel, K. L.; Kuschel, O.; Weber, S.; Poppitz, D.; Sheppard, T.; Gläser, R. (2022, Januar 10). Control of Textural Properties and Ni Species of Ni-Catalysts Supported on Si-Stabilized ZrO₂. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2022, Januar 10). X-ray Ptychography as a Tool to Understand Catalyst Synthesis and Deactivation in 3D. 758th WE-Heraeus Seminar (2022), Online, 10.–13. Januar 2022. 
2021
Buchaufsätze
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125. 
Semmel, M.; Ali, R. E.; Ouda, M.; Schaadt, A.; Sauer, J.; Hebling, C. (2021). Power-to-DME: a cornerstone towards a sustainable energy system. Power to Fuel., 123–151, Elsevier. doi:10.1016/B978-0-12-822813-5.00010-2
Zeitschriftenaufsätze
Akhmetov, V.; Feofanov, M.; Sharapa, D. I.; Amsharov, K. (2021). Alumina-Mediated π-Activation of Alkynes. Journal of the American Chemical Society, 143 (37), 15420–15426. doi:10.1021/jacs.1c07845
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.202104955VolltextVolltext der Publikation als PDF-Dokument
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/s41929-020-00552-3VolltextVolltext der Publikation als PDF-Dokument
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/catal11040459VolltextVolltext der Publikation als PDF-Dokument
Boronin, A. I.; Slavinskaya, E.; Kibis, L.; Stonkus, O.; Svintsitskiy, D.; Stadnichenko, A.; Fedorova, E.; Romanenko, A.; Marchuk, V.; Doronkin, D. (2021). The effects of platinum dispersion and Pt state on catalytic properties of Pt/Al2O3 in NH3 oxidation. ChemCatChem, 13 (1), 313–327. doi:10.1002/cctc.202001320VolltextVolltext der Publikation als PDF-Dokument
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/s41467-021-21925-7VolltextVolltext der Publikation als PDF-Dokument
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.1c02074VolltextVolltext der Publikation als PDF-Dokument
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.202000226VolltextVolltext der Publikation als PDF-Dokument
Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Rabsch, G.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Continuous-flow reactor setup for X-ray absorption spectroscopy of high pressure heterogeneous liquid–solid catalytic processes. Review of scientific instruments, 92 (12), Article no: 124101. doi:10.1063/5.0057011VolltextVolltext der Publikation als PDF-Dokument
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.0c11246VolltextVolltext der Publikation als PDF-Dokument
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/d1se00631bVolltextVolltext der Publikation als PDF-Dokument
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:10.1063/5.0038428VolltextVolltext der Publikation als PDF-Dokument
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, 11 (15), 9300–9316. doi:10.1021/acscatal.1c01682VolltextVolltext der Publikation als PDF-Dokument
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.2021.111557VolltextVolltext der Publikation als PDF-Dokument
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.202101847VolltextVolltext der Publikation als PDF-Dokument
Hakimioun, A. H.; Dietze, E. M.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Joos, L.; Plessow, P. N.; Studt, F. (2021). Theoretical Investigation of the Size Effect on the Oxygen Adsorption Energy of Coinage Metal Nanoparticles. Catalysis letters, 151, 3165–3169. doi:10.1007/s10562-021-03567-yVolltextVolltext der Publikation als PDF-Dokument
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.2020.119442VolltextVolltext der Publikation als PDF-Dokument
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, 20, 1216–1220. 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
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. (2021). In situ probing of Pt/TiO activity in low-temperature ammonia oxidation. Catalysis science & technology, 11 (1), 250–263. doi:10.1039/d0cy01533dVolltextVolltext der Publikation als PDF-Dokument
Kim, Y. Y.; Keller, T. F.; Goncalves, T. J.; Abuin, M.; Runge, H.; Gelisio, L.; Carnis, J.; Vonk, V.; Plessow, P. N.; Vartaniants, I. A.; Stierle, A. (2021). Single alloy nanoparticle x-ray imaging during a catalytic reaction. Science advances, 7 (40), Art.Nr.: eabh0757. doi:10.1126/sciadv.abh0757VolltextVolltext der Publikation als PDF-Dokument
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Development of Consistent Kinetic Models Derived from a Microkinetic Model of the Methanol Synthesis. Industrial & engineering chemistry research, 60 (42), 15074–15086. doi:10.1021/acs.iecr.1c02952
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/d1re90031eVolltextVolltext der Publikation als PDF-Dokument
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
Lacková, V.; Schroer, M. A.; Honecker, D.; Hähsler, M.; Vargová, H.; Zakutanská, K.; Behrens, S.; Kováč, J.; Svergun, D. I.; Kopčanský, P.; Tomašovičová, N. (2021). Clustering in ferronematics : The effect of magnetic collective ordering. iScience, 24 (12), Article no: 103493. doi:10.1016/j.isci.2021.103493VolltextVolltext der Publikation als PDF-Dokument
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/d0nr08871dVolltextVolltext der Publikation als PDF-Dokument
Liu, S.; Yang, C.; Zha, S.; Sharapa, D.; Studt, F.; Zhao, Z.-J.; Gong, J. (2021). Moderate Surface Segregation Promotes Selective Ethanol Production in CO Hydrogenation Reaction over CoCu Catalysts. Angewandte Chemie - International Edition. doi:10.1002/anie.202109027
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
Mantei, F.; Ali, R. E.; Baensch, C.; Voelker, S.; Haltenort, P.; Burger, J.; Dietrich, R.-U.; von der Assen, N.; Schaadt, A.; Sauer, J.; Salem, O. (2021). Techno-economic assessment and Carbon footprint of processes for the large-scale production of Oxymethylene Dimethyl Ethers from Carbon Dioxide and Hydrogen. Sustainable energy & fuels. doi:10.1039/D1SE01270CVolltextVolltext der Publikation als PDF-Dokument
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 CO with water as the donor of electrons and protons. Applied catalysis / B, 285, Art. Nr.: 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, 13 (19), 4120–4132. doi:10.1002/cctc.202100692VolltextVolltext der Publikation als PDF-Dokument
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
Samkhaniani, N.; Marschall, H.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2021). Numerical simulation of drop impingement and bouncing on a heated hydrophobic surface. Journal of Physics: Conference Series, 2116 (1), Art.-Nr.: 012073. doi:10.1088/1742-6596/2116/1/012073VolltextVolltext der Publikation als PDF-Dokument
Samkhaniani, N.; Stroh, A.; Holzinger, M.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2021). Bouncing drop impingement on heated hydrophobic surfaces. International journal of heat and mass transfer, 180, Art.-Nr.: 121777. doi:10.1016/j.ijheatmasstransfer.2021.121777
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.202000251VolltextVolltext der Publikation als PDF-Dokument
Schmitt, C. C.; Fonseca, F. G.; Fraga, M. M. C.; Wisniewski, J., Alberto; Karp, S.; José, Á. H. M.; Rodrigues, R. C. L. B. L.; Moreira, R.; Hirayama, D. E.; Raffelt, K.; Dahmen, N. (2021). Thermochemical and catalytic conversion technologies for the development of Brazilian biomass utilization. Catalysts, 11 (12), 1549. doi:10.3390/catal11121549VolltextVolltext der Publikation als PDF-Dokument
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.21435VolltextVolltext der Publikation als PDF-Dokument
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). Effect of Aluminum Siting in H-ZSM-5 on Reaction Barriers. Journal of Physical Chemistry C, 125 (37), 20373–20379. doi:10.1021/acs.jpcc.1c06670
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.202100054VolltextVolltext der Publikation als PDF-Dokument
Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D. (2021). Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts. Journal of catalysis. doi:10.1016/j.jcat.2021.08.053
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
Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E. (2021). Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor. Reaction chemistry & engineering. doi:10.1039/D1RE00499AVolltextVolltext der Publikation als PDF-Dokument
Wang, X.; Funke, A.; Cheng, Y.; Song, F.; Yin, S.; Liang, S.; Zuo, X.; Gao, J.; Müller‐Buschbaum, P.; Xia, Y. (2021). Continuous fast pyrolysis synthesis of TiO₂/C nanohybrid lithium-ion battery anode. Nano select, 2 (9), 1770–1778. doi:10.1002/nano.202100015
Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Harte Röntgen‐Nanotomographie zur 3D‐Analyse der Verkokung in Nickel‐basierten Katalysatoren. Angewandte Chemie, 133 (40), 21940–21945. doi:10.1002/ange.202106380VolltextVolltext der Publikation als PDF-Dokument
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/d0ra09754cVolltextVolltext der Publikation als PDF-Dokument
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
Yu, S.; Guo, B.; Johnsen, S.; Wiegand, G.; Lemmer, U.; Guo, X.; Zhang, M.; Li, Y.; Sprau, C.; Hölscher, H.; Colsmann, A.; Gomard, G. (2021). Nanoporous Polymer Reflectors for Organic Solar Cells. Energy technology, Art.-Nr. 2100676. doi:10.1002/ente.202100676VolltextVolltext der Publikation als PDF-Dokument
Zhao, D.; Tian, X.; Doronkin, D. E.; Han, S.; Kondratenko, V. A.; Grunwaldt, J.-D.; Perechodjuk, A.; Vuong, T. H.; Rabeah, J.; Eckelt, R.; Rodemerck, U.; Linke, D.; Jiang, G.; Jiao, H.; Kondratenko, E. V. (2021). In situ formation of ZnOₓ species for efficient propane dehydrogenation. Nature <London>, 599, 234–238. doi:10.1038/s41586-021-03923-3VolltextVolltext der Publikation als PDF-Dokument
Proceedingsbeiträge
Arnold, U.; Haltenort, P.; Drexler, M.; Sauer, J. (2021). Recent developments in the field of oxymethylene ethers (OMEs) as diesel fuels. 13th International Colloquium Fuels - Conventional and Future Energy for Automobiles : conference proceesings 2021 ; [Ostfildern, 15.-16.09.2021]. Ed.: Nikolai Schubert, 75–81, expert-Verlag GmbH. 
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J.; Triantafyllidis. K. S. (2021). Progress in the anhydrous production of oxymethylene ether (OME) as a renewable diesel fuel in a liquid phase process. 5th EuChemS Conference on Green and Sustainable Chemistry, 26 - 29 September, 2021, Virtual Conference, Conference Proceedings, 60–61. 
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. 
Fuchs, C.; Betz, M.; Arnold, U.; Sauer, J. (2021). Production of sustainable fuels by heterogeneously catalyzed oligomerization of C2-C4 olefins. 13th International Colloquium Fuels - Conventional and Future Energy for Automobiles : conference proceesings 2021 ; [Ostfildern, 15.-16.09.2021]. Ed.: Nikolai Schubert, 83–91, expert-Verlag GmbH. 
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/ISEMA49699.2021.9508275VolltextVolltext der Publikation als PDF-Dokument
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, ForschungsVerbund Erneuerbare Energien (FVEE). 
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. 
Forschungsberichte/Preprints
Heinzmann, P.; Glöser-Chahoud, S.; Dahmen, N.; Langenmayr, U.; Schultmann, F. (2021). Techno-ökonomische Bewertung der Produktion regenerativer synthetischer Kraftstoffe. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000140638VolltextVolltext der Publikation als PDF-Dokument
Vorträge
Bagheri, M.; Stumpf, B.; Roisman, I.; Wörner, M.; Marschall, H. (2021, Januar 14). Phase-Field Simulation of Drop Impact On a Liquid Film : The Critical Role of Interfacial Mixing Energy. 14th World Congress on Computational Mechanics (WWCM 2020) - 8th European Congress on Computational Methods in Applie Sciences (ECCOMAS 2020) (2021), Online, 11.–15. Januar 2021. VolltextVolltext der Publikation als PDF-Dokument
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Wörner, M.; Marschall, H. (2021, März 10). Computational analysis of crown formation during drop impact onto a liquid film with experimental validation. Jahrestreffen der ProcessNet Fachgruppen Mehrphasenströmung (MPH) und Computational Fluid Dynamics (CFD 2021), Paderborn, Deutschland, 9.–10. März 2021. VolltextVolltext der Publikation als PDF-Dokument
Dahmen, N.; Koch, T.; Rauch, R.; Sauer, J.; Toedter, O. (2021, Januar 18). Advanced fuels for the existing fleet – Results from the reFuels project. 18th International Conference on Renewable Mobility "Fuels of the Future" (2021), Online, 18.–22. Januar 2021. 
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2021). Advances in production and design of oxymethylene ether (OME) fuels. 9th International Conference Fuel Science - From Production to Propulsion (2021), Online, 22.–24. Juni 2021. 
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J.; Triantafyllidis. K. S. (2021). Progress in the anhydrous production of oxymethylene ether (OME) as a renewable diesel fuel in a liquid phase process. 5th EuChemS Conference on Green and Sustainable Chemistry (2021), Online, 26.–29. September 2021. 
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2021, März 19). Tracking the structure of Pt single sites on CeO₂ and their CO, C₃H₆ and CH₄ oxidation activity. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, 16.–19. März 2021. 
Neukum, D.; Schade, O.; Grunwaldt, J.-D.; Saraçi, E. (2021, November 18). Oxidative esterification of HMF with and without base to renewable monomers with supported gold catalysts. 6th Green and Sustainable Chemistry Conference (2021), Online, 16.–18. November 2021. 
Treu, P.; Huber, P.; Plessow, P. N.; Saraçi, E. (2021, November 16). Bio-derived terephthalic acid precursors via the Diels-Alder reaction of isoprene and acrylate over solid Lewis acid Sn-BEA. 6th Green and Sustainable Chemistry Conference (2021), Online, 16.–18. November 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, 29. März–1. April 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, 29. August–1. September 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, 13.–20. August 2021. 
Weber, S.; Sheppard, T. L. (2021, Januar). 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, 25.–29. Januar 2021. 
Poster
Drexler, M.; Arnold, U.; Haltenort, P.; Sauer, J. (2021). Zeolite-catalyzed production of OME in an anhydrous liquid phase process. Annual Meeting on Reaction Engineering (2021), Online, 10.–12. Mai 2021. 
Eggart, D.; Huang, X.; Zimina, A.; Pan, X.; Grunwaldt, J.-D. (2021, März 17). Platinum doped ceria catalysts for direct conversion of methane. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, 16.–19. März 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, 20.–29. April 2021. 
Samkhaniani, N.; Stroh, A.; Marschall, H.; Frohnapfel, B.; Wörner, M. (2021, März 10). Drop impingement on heated hydrophobic surfaces. Jahrestreffen der ProcessNet-Fachgruppen "Abfallbehandlung und Wertstoffrückgewinnung, Energieverfahrenstechnik, Gasreinigung, Hochtemperaturtechnik, Rohstoffe" (2017), Frankfurt am Main, Deutschland, 21.–23. März 2017. VolltextVolltext der Publikation als PDF-Dokument
Saraci, E.; Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Barcikowski, S.; Grunwaldt, J.-D. (2021, März). Selective Aerobic Oxidation of 5-(Hydroxymethyl)furfural over Silver-Gold Alloyed Nanoparticle Catalysts. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, 16.–19. März 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, März). Porosity and Structural Analysis of a Hierarchical Porous Ni/Al₂O₃ Catalyst for CO₂ Methanation. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, 16.–19. März 2021. 
Weber, S.; Schunk, S. (2021, März 19). Novel Plasma Synthesis of Mayenite-based Electrides and their Catalytic Application for Ammonia Synthesis. 54. Jahrestreffen Deutscher Katalytiker (2021), Online, 16.–19. März 2021. 
Weber, S.; Sheppard, T. L. (2021, Februar). Porosity Analysis of Ni/Al₂O₃ Catalysts by Multi-scale Tomography. 5th Annual Workshop on Advances in X-ray Imaging (2021), Online, 1.–2. Februar 2021. 
Forschungsdaten
2020
Dissertationen
Schuler, J. (2020, März 2). Hydrothermal liquefaction of lignin. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000117444VolltextVolltext der Publikation als PDF-Dokument
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.2020.118002VolltextVolltext der Publikation als PDF-Dokument
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
Bulsink, P.; Mercader, M. F. D.; 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.0c02090VolltextVolltext der Publikation als PDF-Dokument
Chou, C. W.; Collopy, A. L.; Kurz, C.; Lin, Y.; Harding, M. E.; Plessow, P. N.; Fortier, T.; Diddams, S.; Leibfried, D.; Leibrandt, D. R. (2020). Frequency-comb spectroscopy on pure quantum states of a single molecular ion. Science, 367 (6485), 1458–1461. doi:10.1126/science.aba3628
Dörnhöfer, J.; Börnhorst, M.; Ates, C.; Samkhaniani, N.; Pfeil, J.; Wörner, M.; Koch, R.; Bauer, H.-J.; Deutschmann, O.; Frohnapfel, B.; Koch, T. (2020). A Holistic View on Urea Injection for NOx Emission Control: Impingement, Re-atomization, and Deposit Formation. Emission control science and technology, 6, 228–243. doi:10.1007/s40825-019-00151-0
Doronkin, D. E.; Wang, S.; Sharapa, D.; Deschner, B. J.; Sheppard, T. L.; Zimina, A.; Studt, F.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D. (2020). Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct HO synthesis. Catalysis science & technology, 10 (14), 4726–4742. doi:10.1039/D0CY00553CVolltextVolltext der Publikation als PDF-Dokument
Feofanov, M.; Akhmetov, V.; Sharapa, D. I.; Amsharov, K. (2020). Modular Approach to the Synthesis of Two-Dimensional Angular Fused Acenes. Organic letters, 22 (5), 1698–1702. doi:10.1021/acs.orglett.9b04382
Frei, E.; Gaur, A.; Lichtenberg, H.; Zwiener, L.; Scherzer, M.; Girgsdies, F.; Lunkenbein, T.; Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts. ChemCatChem, 12 (16), 4029–4033. doi:10.1002/cctc.202000777
Gaur, A.; Stehle, M.; Raun, K. V.; Thrane, J.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M. (2020). Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD. Physical chemistry, chemical physics, 22 (20), 11713–11723. doi:10.1039/D0CP01506GVolltextVolltext der Publikation als PDF-Dokument
Giehr, A.; Maier, L.; Angeli, S.; Schunk, S. A.; Deutschmann, O. (2020). Dry and Steam Reforming of CH on Co-Hexaaluminate: On the Formation of Metallic Co and Its Influence on Catalyst Activity. Industrial & engineering chemistry research, 59 (42), 18790–18797. doi:10.1021/acs.iecr.0c03522
Hähsler, M.; Landers, J.; Nowack, T.; Salamon, S.; Zimmermann, M.; Heißler, S.; Wende, H.; Behrens, S. (2020). Magnetic Properties and Mössbauer Spectroscopy of Fe3O4/CoFe2O4 Nanorods. Inorganic chemistry, 59 (6), 3677–3685. doi:10.1021/acs.inorgchem.9b03267
Hähsler, M.; Zimmermann, M.; Heißler, S.; Behrens, S. (2020). Sc-doped barium hexaferrite nanodiscs: Tuning morphology and magnetic properties. Journal of magnetism and magnetic materials, 500, Article No.166349. doi:10.1016/j.jmmm.2019.166349
Han, S.; Zhao, D.; Lund, H.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Gao, M.; Jiang, G.; Kondratenko, E. V. (2020). TiO-supported catalysts with ZnO and ZrO for non-oxidative dehydrogenation of propane: mechanistic analysis and application potentia. Catalysis science & technology, 10 (20), 7046–7055. 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, 10 (15), 8933–8949. doi:10.1021/acscatal.0c01580VolltextVolltext der Publikation als PDF-Dokument
Heinz, W. R.; Agirrezabal-Telleria, I.; Junk, R.; Berger, J.; Wang, J.; Sharapa, D. I.; Gil-Calvo, M.; Luz, I.; Soukri, M.; Studt, F.; Wang, Y.; Wöll, C.; Bunzen, H.; Drees, M.; Fischer, R. A. (2020). Thermal Defect Engineering of Precious Group Metal–Organic Frameworks: A Case Study on Ru/Rh-HKUST-1 Analogues. ACS applied materials & interfaces, 12 (36), 40635–40647. doi:10.1021/acsami.0c10721
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/en13133309VolltextVolltext der Publikation als PDF-Dokument
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/C9RE00493AVolltextVolltext der Publikation als PDF-Dokument
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, 278, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244VolltextVolltext der Publikation als PDF-Dokument
Lustemberg, P. G.; Plessow, P. N.; Wang, Y.; Yang, C.; Nefedov, A.; Studt, F.; Wöll, C.; Ganduglia-Pirovano, M. V. (2020). Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Physical review letters, 125 (25), Art.-Nr.: 256101. doi:10.1103/PhysRevLett.125.256101
Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2020). Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2. Nature catalysis, 3, 824–833. doi:10.1038/s41929-020-00508-7VolltextVolltext der Publikation als PDF-Dokument
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.2020.106476VolltextVolltext der Publikation als PDF-Dokument
Neves, R. C.; Klein, B. C.; da Silva, R. J.; Rezende, M. C. A. F.; Funke, A.; Olivarez-Gómez, E.; Bonomi, A.; Maciel-Filho, R. (2020). A vision on biomass-to-liquids (BTL) thermochemical routes in integrated sugarcane biorefineries for biojet fuel production. Renewable & sustainable energy reviews, 119, Art.-Nr. 109607. doi:10.1016/j.rser.2019.109607
Nielsen, M. R.; Moss, A. B.; Bjørnlund, A. S.; Liu, X.; Knop-Gericke, A.; Klyushin, A. Y.; Grunwaldt, J.-D.; Sheppard, T. L.; Doronkin, D. E.; Zimina, A.; Smitshuysen, T. E. L.; Damsgaard, C. D.; Wagner, J. B.; Hansen, T. W. (2020). Reduction and carburization of iron oxides for Fischer-Tropsch synthesis. Journal of Energy Chemistry, 51, 48–61. doi:10.1016/j.jechem.2020.03.026
Perilli, D.; Di Valentin, C.; Studt, F. (2020). Can Single Metal Atoms Trapped in Defective h-BN/Cu(111) Improve Electrocatalysis of the H Evolution Reaction?. The journal of physical chemistry <Washington, DC> / C, 124 (43), 23690–23698. doi:10.1021/acs.jpcc.0c06750
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/catal10080816VolltextVolltext der Publikation als PDF-Dokument
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.201915255VolltextVolltext der Publikation als PDF-Dokument
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/catal10030342VolltextVolltext der Publikation als PDF-Dokument
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.202001003VolltextVolltext der Publikation als PDF-Dokument
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.2019.106199VolltextVolltext der Publikation als PDF-Dokument
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/S1600576720008420VolltextVolltext der Publikation als PDF-Dokument
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/D0CY01396JVolltextVolltext der Publikation als PDF-Dokument
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/app10144699VolltextVolltext der Publikation als PDF-Dokument
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.202003448VolltextVolltext der Publikation als PDF-Dokument
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/catal10040437VolltextVolltext der Publikation als PDF-Dokument
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.202000407VolltextVolltext der Publikation als PDF-Dokument
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/C9CY02210DVolltextVolltext der Publikation als PDF-Dokument
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.202000385VolltextVolltext der Publikation als PDF-Dokument
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/catal10121471VolltextVolltext der Publikation als PDF-Dokument
Weiss, C.; Sharapa, D. I.; Hirsch, A. (2020). Coronenohelicenes with Dynamic Chirality. Chemistry - a European journal, 26 (62), 14100–14108. doi:10.1002/chem.202001703VolltextVolltext der Publikation als PDF-Dokument
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/S1600577520000831VolltextVolltext der Publikation als PDF-Dokument
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)63445-5VolltextVolltext der Publikation als PDF-Dokument
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.202000124VolltextVolltext der Publikation als PDF-Dokument
Proceedingsbeiträge
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. 
Vorträge
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, 23.–25. Juni 2020. 
Doronkin, D. E. (2020, Januar 30). QEXAFS-XRD combination at P64, and the high temperature setup at P65. European XFEL Users’ Meeting / 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. VolltextVolltext der Publikation als PDF-Dokument
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), Online, 2.–4. November 2020. 
Marschall, H.; Bagheri, M.; Samkhaniani, N.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2020, Oktober 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, 12.–15. Oktober 2020. VolltextVolltext der Publikation als PDF-Dokument
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. 15th OpenFOAM Workshop (OFW 2020), Online, 22.–25. Juni 2020. VolltextVolltext der Publikation als PDF-Dokument
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. European XFEL Users’ Meeting / 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. VolltextVolltext der Publikation als PDF-Dokument