Ausgewählte Publikationen

Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125. 

Amsler, J.; Plessow, P. N.; Studt, F. (2021). Effect of Impurities on the Initiation of the Methanol-to-Olefins Process: Kinetic Modeling Based on Ab Initio Rate Constants. Catalysis letters. doi:10.1007/s10562-020-03492-6  

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 

Bakhshan, M.; Wörner, M.; Dadvand, A. (2021). Simulation of droplet impingement on a rigid square obstacle in a microchannel using multiphase lattice Boltzmann method. Computational Particle Mechanics, 95. doi:10.1007/s40571-020-00384-9 

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${}_x$ removal revealed by operando X-ray spectrotomography. Nature catalysis, 4, 46–53. doi:10.1038/s41929-020-00552-3 

Becher, J.; Weber, S.; Ferreira Sanchez, D.; Doronkin, D. E.; Garrevoet, J.; Falkenberg, G.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Sample Environment for Operando Hard X-ray Tomography—An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis. Catalysts, 11 (4), Art.-Nr.: 459. doi:10.3390/catal11040459  

Boukis, N.; Stoll, I. K. (2021). Gasification of biomass in supercritical water, challenges for the process design—lessons learned from the operation experience of the first dedicated pilot plant. Processes, 9 (3), 1–17. doi:10.3390/pr9030455  

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${}_2$ photoreduction. Nature Communications, 12 (1), Art.-Nr.: 1675. doi:10.1038/s41467-021-21925-7  

Delgado Otalvaro, N.; Gül Bilir, P.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Modeling the Direct Synthesis of Dimethyl Ether using Artificial Neural Networks. Chemie - Ingenieur - Technik. doi:10.1002/cite.202000226 

Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Effect of Selectivity Enhancers on the Structure of Palladium during High-Pressure Continuous-Flow Direct Synthesis of Hydrogen Peroxide in Ethanol. The journal of physical chemistry <Washington, DC> / C, acs.jpcc.0c11246. doi:10.1021/acs.jpcc.0c11246  

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 

Dusold, C.; Sharapa, D. I.; Hampel, F.; Hirsch, A. (2021). π‐Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa‐peri‐hexabenzocoronenes. Chemistry - a European journal, 27 (7), 2332–2341. doi:10.1002/chem.202003402  

Egeberg, A.; Faden, L.-P.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid-phase Synthesis of Highly Oxophilic Zerovalent Niobium and Tantalum Nanoparticles. Chemical communications. doi:10.1039/D1CC00681A 

Eggart, D.; Zimina, A.; Cavusoglu, G.; Casapu, M.; Doronkin, D. E.; Lomachenko, K. A.; Grunwaldt, J.-D. (2021). Versatile and high temperature spectroscopic cell for fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts. Review of scientific instruments, 92 (2), 023106. doi:10.1063/5.0038428  

Fan, Y.; Fonseca, F. G.; Gong, M.; Hoffmann, A.; Hornung, U.; Dahmen, N. (2021). Energy valorization of integrating lipid extraction and hydrothermal liquefaction of lipid-extracted sewage sludge. Journal of cleaner production, 285, Art.Nr. 124895. doi:10.1016/j.jclepro.2020.124895 

Goodman, E. D.; Carlson, E. Z.; Dietze, E. M.; Tahsini, N.; Johnson, A.; Aitbekova, A.; Nguyen Taylor, T.; Plessow, P. N.; Cargnello, M. (2021). Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena. Nanoscale, 13 (2), 930–938. doi:10.1039/d0nr07960j 

Halim, R.; Papachristou, I.; Kubisch, C.; Nazarova, N.; Wüstner, R.; Steinbach, D.; Chen, G. Q.; Deng, H.; Frey, W.; Posten, C.; Silve, A. (2021). Hypotonic osmotic shock treatment to enhance lipid and protein recoveries from concentrated saltwater Nannochloropsis slurries. Fuel, 287, Art.-Nr.: 119442. doi:10.1016/j.fuel.2020.119442  

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 

Konnerth, P.; Jung, D.; Straten, J. W.; Raffelt, K.; Kruse, A. (2021). Metal oxide-doped activated carbons from bakery waste and coffee grounds for application in supercapacitors. Materials science for energy technologies, 4, 69–80. doi:10.1016/j.mset.2020.12.008  

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/d0nr08871d  

Marquart, W.; Raseale, S.; Prieto, G.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Claeys, M.; Fischer, N. (2021). CO2 Reduction over Mo2C-Based Catalysts. ACS catalysis, 11, 1624–1639. doi:10.1021/acscatal.0c05019 

Naina, V. R.; Wang, S.; Sharapa, D. I.; Zimmermann, M.; Hähsler, M.; Niebl-Eibenstein, L.; Wang, J.; Wöll, C.; Wang, Y.; Singh, S. K.; Studt, F.; Behrens, S. (2021). Shape-Selective Synthesis of Intermetallic Pd₃Pb Nanocrystals and Enhanced Catalytic Properties in the Direct Synthesis of Hydrogen Peroxide. ACS catalysis, 11 (4), 2288–2301. doi:10.1021/acscatal.0c03561 

Paul, S.; Barman, D.; Chowdhury, C.; Giri, P. K.; De, S. K. (2021). 3D/2D Bi${}_2$S${}_3$/SnS${}_2$ heterostructures: superior charge separation and enhanced solar light-driven photocatalytic performance. CrystEngComm, 23 (11), 2276–2288. doi:10.1039/d0ce01710h 

Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2021). Homogeneous conversion of NO${}_x$ and NH${}_3$ with CH${}_4$, CO, and C${}_2$H${}_4$ 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.21435  

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

Sprenger, P.; Stehle, M.; Gaur, A.; Weiß, J.; Brueckner, D.; Zhang, Y.; Garrevoet, J.; Suuronen, J.-P.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Chemical imaging of mixed metal oxide catalysts for propylene oxidation: from model binary systems to complex multicomponent systems. ChemCatChem, cctc.202100054. doi:10.1002/cctc.202100054 

Studt, F. (2021). Catalysis by unusual vacancies. Nature Catalysis, 4 (3), 184–185. doi:10.1038/s41929-021-00593-2 

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 

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

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${}_2$/CO syngas feeds. RSC Advances, 11 (5), 2556–2564. doi:10.1039/d0ra09754c  

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

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 

Zengel, D.; Barth, S.; Casapu, M.; Grunwaldt, J.-D. (2021). The Impact of Pressure and Hydrocarbons on NOx Abatement over Cu- and Fe-Zeolites at Pre-Turbocharger Position. Catalysts, 11 (3), 336. doi:10.3390/catal11030336  

Zengel, D.; Stehle, M.; Deutschmann, O.; Casapu, M.; Grunwaldt, J.-D. (2021). Impact of gas phase reactions and catalyst poisons on the NH₃-SCR activity of a V₂O₅-WO₃/TiO₂ catalyst at pre-turbine position. Applied catalysis / B, 288, Article no: 119991. doi:10.1016/j.apcatb.2021.119991 

Zimmermann, J.; Raffelt, K.; Dahmen, N. (2021). Sequential hydrothermal processing of sewage sludge to produce low nitrogen biocrude. Processes, 9 (3), Art.-Nr.: 491. doi:10.3390/pr9030491  

Alhnidi, M.-J.; Wüst, D.; Funke, A.; Hang, L.; Kruse, A. (2020). Fate of Nitrogen, Phosphate, and Potassium during Hydrothermal Carbonization and the Potential for Nutrient Recovery. ACS sustainable chemistry & engineering, 8 (41), 15507–15516. doi:10.1021/acssuschemeng.0c04229 

Amsharov, K.; Sharapa, D. I.; Vasilyev, O. A.; Oliver, M.; Hauke, F.; Goerling, A.; Soni, H.; Hirsch, A. (2020). Fractal-seaweeds type functionalization of graphene. Carbon, 158, 435–448. doi:10.1016/j.carbon.2019.11.008 

Amsler, J.; Sarma, B. B.; Agostini, G.; Prieto, G.; Plessow, P. N.; Studt, F. (2020). Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts. Journal of the American Chemical Society, 142 (11), 5087–5096. doi:10.1021/jacs.9b12171 

Anca-Couce, A.; Tsekos, C.; Retschitzegger, S.; Zimbardi, F.; Funke, A.; Banks, S.; Kraia, T.; Marques, P.; Scharler, R.; Jong, W. de; Kienzl, N. (2020). Biomass pyrolysis TGA assessment with an international round robin. Fuel, 276, Art. Nr.: 118002. doi:10.1016/j.fuel.2020.118002  

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

Araujo-Lopez, E.; Joos, L.; Vandegehuchte, B. D.; Sharapa, D. I.; Studt, F. (2020). Theoretical Investigations of (Oxidative) Dehydrogenation of Propane to Propylene over Palladium Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (5), 3171–3176. doi:10.1021/acs.jpcc.9b11424 

Araujo-Lopez, E.; Vandegehuchte, B. D.; Curulla-Ferré, D.; Sharapa, D. I.; Studt, F. (2020). Trends in the Activation of Light Alkanes on Transition-Metal Surfaces. The journal of physical chemistry <Washington, DC> / C, 124 (50), 27503–27510. doi:10.1021/acs.jpcc.0c08076 

Arvidsson, A. A.; Plessow, P. N.; Studt, F.; Hellman, A. (2020). Influence of Acidity on the Methanol-to-DME Reaction in Zeotypes: A First Principles-Based Microkinetic Study. The journal of physical chemistry <Washington, DC> / C, 124 (27), 14658–14663. doi:10.1021/acs.jpcc.0c03125 

Börnhorst, M.; Kuntz, C.; Tischer, S.; Deutschmann, O. (2020). Urea derived deposits in diesel exhaust gas after-treatment: Integration of urea decomposition kinetics into a CFD simulation. Chemical engineering science, 211, Article No.115319. doi:10.1016/j.ces.2019.115319 

Boronin, A. I.; Slavinskaya, E.; Kibis, L.; Stonkus, O.; Svintsitskiy, D.; Stadnichenko, A.; Fedorova, E.; Romanenko, A.; Marchuk, V.; Doronkin, D. (2020). The effects of platinum dispersion and Pt state on catalytic properties of Pt/Al2O3 in NH3 oxidation. ChemCatChem, cctc.202001320. doi:10.1002/cctc.202001320 

Bulsink, P.; De Miguel Mercader, F.; Sandström, L.; Van de Beld, B.; Preto, F.; Zacher, A.; Oasmaa, A.; Dahmen, N.; Funke, A.; Bronson, B. (2020). Results of the International Energy Agency Bioenergy Round Robin on the Analysis of Heteroatoms in Biomass Liquefaction Oils. Energy & fuels, 34 (9), 11123–11133. doi:10.1021/acs.energyfuels.0c02090 

Casapu, M.; Zheng, L.; Zimina, A.; Grunwaldt, J.-D. (2020). Hydrocarbon and soot oxidation over cerium and iron doped vanadium SCR catalysts. ChemCatChem, 12, 6272–6284. doi:10.1002/cctc.202001314  

Chou, C. W.; Collopy, A. L.; Kurz, C.; Lin, Y.; Harding, M. E.; Plessow, P. N.; Fortier, T.; Diddams, S.; Leibfried, D.; Leibrandt, D. R. (2020). Frequency-comb spectroscopy on pure quantum states of a single molecular ion. Science, 367 (6485), 1458–1461. doi:10.1126/science.aba3628 

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

Dietrich, C.; Hähsler, M.; Wang, W.; Kübel, C.; Behrens, S. (2020). Designing Structurally Ordered Pt/Sn Nanoparticles in Ionic Liquids and their Enhanced Catalytic Performance. ChemNanoMat, 6 (12), 1854–1862. doi:10.1002/cnma.202000433  

Dörnhöfer, J.; Börnhorst, M.; Ates, C.; Samkhaniani, N.; Pfeil, J.; Wörner, M.; Koch, R.; Bauer, H.-J.; Deutschmann, O.; Frohnapfel, B.; Koch, T. (2020). A Holistic View on Urea Injection for NOx Emission Control: Impingement, Re-atomization, and Deposit Formation. Emission control science and technology, 6, 228–243. doi:10.1007/s40825-019-00151-0 

Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D. (2020). Applications of Hard X-ray Spectroscopy in Energy-Related and Environmental Catalysis. Synchrotron radiation news, 33 (5), 11–17. doi:10.1080/08940886.2020.1812353 

Doronkin, D. E.; Wang, S.; Sharapa, D.; Deschner, B. J.; Sheppard, T. L.; Zimina, A.; Studt, F.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D. (2020). Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct H${}_2$O${}_2$ synthesis. Catalysis science & technology, 10 (14), 4726–4742. doi:10.1039/D0CY00553C  

Fan, Y.; Hornung, U.; Raffelt, K.; Dahmen, N. (2020). The influence of lipids on the fate of nitrogen during hydrothermal liquefaction of protein-containing biomass. Journal of analytical and applied pyrolysis, 147, Art. Nr.: 104798. doi:10.1016/j.jaap.2020.104798 

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

Feofanov, M.; Akhmetov, V.; Sharapa, D. I.; Amsharov, K. (2020). Modular Approach to the Synthesis of Two-Dimensional Angular Fused Acenes. Organic letters, 22 (5), 1698–1702. doi:10.1021/acs.orglett.9b04382 

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

Frei, E.; Gaur, A.; Lichtenberg, H.; Zwiener, L.; Scherzer, M.; Girgsdies, F.; Lunkenbein, T.; Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts. ChemCatChem, 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/D0CP01506G  

Giehr, A.; Maier, L.; Angeli, S.; Schunk, S. A.; Deutschmann, O. (2020). Dry and Steam Reforming of CH${}_4$ 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 

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

Han, S.; Zhao, D.; Lund, H.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Gao, M.; Jiang, G.; Kondratenko, E. V. (2020). TiO2-supported catalysts with ZnO and ZrO2 for non-oxidative dehydrogenation of propane: mechanistic analysis and application potentia. Catalysis science & technology. doi:10.1039/D0CY01416H 

Han, S.; Zhao, D.; Otroshchenko, T.; Lund, H.; Bentrup, U.; Kondratenko, V. A.; Rockstroh, N.; Bartling, S.; Doronkin, D. E.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Gao, M.; Jiang, G.; Kondratenko, E. V. (2020). Elucidating the Nature of Active Sites and Fundamentals for their Creation in Zn-Containing ZrO2-Based Catalysts for Non-Oxidative Propane Dehydrogenation. ACS catalysis, acscatal.0c01580. doi:10.1021/acscatal.0c01580 

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 

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

Karadeniz, H.; Karakaya, C.; Tischer, S.; Deutschmann, O. (2020). Numerical Simulation of Methane and Propane Reforming Over a Porous Rh/Al${}_2$O${}_3$ Catalyst in Stagnation-Flows: Impact of Internal and External Mass Transfer Limitations on Species Profiles. Catalysts, 10 (8), Art.-Nr.: 915. doi:10.3390/catal10080915  

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

Kibis, L. S.; Svintsitskiy, D.; Stadnichenko, A. I.; Slavinskaya, E. M.; Romanenko, A.; Fedorova, E. A.; Stonkus, O. A.; Svetlichnyi, V.; Fakhrutdinova, E. D.; Vorokhta, M.; Šmíd, B.; Doronkin, D. E.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A. I. (2020). In situ probing of Pt/TiO2 activity in low-temperature ammonia oxidation. Catalysis science & technology. doi:10.1039/d0cy01533d 

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

Lappalainen, J.; Baudouin, D.; Hornung, U.; Schuler, J.; Melin, K.; Bjelić, S.; Vogel, F.; Konttinen, J.; Joronen, T. (2020). Sub- and Supercritical Water Liquefaction of Kraft Lignin and Black Liquor Derived Lignin. Energies, 13 (13), Article: 3309. doi:10.3390/en13133309  

Liu, C.-Y.; Struwe, K.; Lee, C.-H.; Chuang, H.-Y.; Sauer, J.; Yu, J. C.-C.; Nguyen, V.-H.; Huang, C.-W.; Wu, J. C. S. (2020). Ethanol conversion to selective high-value hydrocarbons over Ni/HZSM-5 zeolite catalyst. Catalysis communications, 144, 106067. doi:10.1016/j.catcom.2020.106067 

Li, Z.; Song, C.; Li, J.; Liang, G.; Rao, L.; Yu, S.; Ding, X.; Tang, Y.; Yu, B.; Ou, J.; Lemmer, U.; Gomard, G. (2020). Highly Efficient and Water-Stable Lead Halide Perovskite Quantum Dots Using Superhydrophobic Aerogel Inorganic Matrix for White Light-Emitting Diodes. Advanced materials technologies, 5 (2), Article: 1900941. doi:10.1002/admt.201900941 

Loewert, M.; Serrer, M.-A.; Carambia, T.; Stehle, M.; Zimina, A.; Kalz, K.; Lichtenberg, H.; Saraci, E.; Pfeifer, P.; Grunwaldt, J.-D. (2020). Bridging the gap between industry and synchrotron: Operando study at 30 bar over 300 h during Fischer-Tropsch synthesis. Reaction chemistry & engineering, 5 (6), 1071–1082. doi:10.1039/C9RE00493A  

Lott, P.; Eck, M.; Doronkin, D. E.; Zimina, A.; Tischer, S.; Popescu, R.; Belin, S.; Briois, V.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2020). Understanding Sulfur Poisoning of Bimetallic Pd-Pt Methane Oxidation Catalysts and their Regeneration. Applied catalysis / B, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244 

Lustemberg, P. G.; Plessow, P. N.; Wang, Y.; Yang, C.; Nefedov, A.; Studt, F.; Wöll, C.; Ganduglia-Pirovano, M. V. (2020). Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Physical review letters, 125 (25), Art.-Nr.: 256101. doi:10.1103/PhysRevLett.125.256101 

Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2020). Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2. Nature catalysis. doi:10.1038/s41929-020-00508-7  

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

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Mutz, B.; Sprenger, P.; Wang, W.; Wang, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Operando Raman Spectroscopy on CO₂ Methanation Over Alumina-Supported Ni, Ni₃Fe and NiRh${}_{0.1}$ Catalysts : Role of Carbon Formation as Possible Deactivation Pathway. Applied catalysis / A, 556, 160–171. doi:10.1016/j.apcata.2018.01.026 

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Oswald, F.; Stoll, I. K.; Zwick, M.; Herbig, S.; Sauer, J.; Boukis, N.; Neumann, A. (2018). Formic Acid Formation by $Clostridium$ $ljungdahlii$ at Elevated Pressures of Carbon Dioxide and Hydrogen. Frontiers in Bioengineering and Biotechnology, 6, Art.Nr. 6. doi:10.3389/fbioe.2018.00006  

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

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

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

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