Selected Publications

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

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

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

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

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

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

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

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

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

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

Awasthi, M. K.; Rai, R. K.; Behrens, S.; Singh, S. K. (2020). Low-temperature hydrogen production from methanol over a ruthenium catalyst in water. Catalysis science & technology. doi:10.1039/d0cy01470b 

Baracchini, G.; Klumpp, M.; Arnold, P.; Dittmeyer, R. (2020). Direct synthesis of dimethyl ether: A simulation study on the influence of the catalyst configuration. The chemical engineering journal, 396, 125155. doi:10.1016/j.cej.2020.125155 

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

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

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

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

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

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

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

Dietrich, C.; Hähsler, M.; Wang, W.; Kübel, C.; Behrens, S. (2020). Deal;Designing Structurally Ordered Pt/Sn Nanoparticles in Ionic Liquids and their Enhanced Catalytic Performance. ChemNanoMat, 6, cnma.202000433. 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.; Wang, S.; Sharapa, D.; Deschner, B. J.; Sheppard, T. L.; Zimina, A.; Studt, F.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D. (2020). Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct H2O2 synthesis. Catalysis science & technology, 10, 4726–4742. doi:10.1039/D0CY00553C  

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

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

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

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

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

Frei, E.; Gaur, A.; Lichtenberg, H.; Zwiener, L.; Scherzer, M.; Girgsdies, F.; Lunkenbein, T.; Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts. ChemCatChem. doi:10.1002/cctc.202000777 

Gaur, A.; Stehle, M.; Raun, K. V.; Thrane, J.; Jensen, A. D.; Grunwaldt, J.-D.; Høj, M. (2020). Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD. Physical chemistry, chemical physics, 22 (20), 11713–11723. doi:10.1039/D0CP01506G  

Hähsler, M.; Landers, J.; Nowack, T.; Salamon, S.; Zimmermann, M.; Heißler, S.; Wende, H.; Behrens, S. (2020). Magnetic Properties and Mössbauer Spectroscopy of Fe3O4/CoFe2O4 Nanorods. Inorganic chemistry, 59 (6), 3677–3685. doi:10.1021/acs.inorgchem.9b03267 

Hähsler, M.; Zimmermann, M.; Heißler, S.; Behrens, S. (2020). Sc-doped barium hexaferrite nanodiscs: Tuning morphology and magnetic properties. Journal of magnetism and magnetic materials, 500, Article No.166349. doi:10.1016/j.jmmm.2019.166349 

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

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

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

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

Karadeniz, H.; Karakaya, C.; Tischer, S.; Deutschmann, O. (2020). Numerical Simulation of Methane and Propane Reforming Over a Porous Rh/Al${}_2$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 

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

Michler, T.; Wippermann, N.; Toedter, O.; Niethammer, B.; Otto, T.; Arnold, U.; Pitter, S.; Koch, T.; Sauer, J. (2020). Gasoline from the bioliq® process: Production, characterization and performance. Fuel processing technology, 206, Article no: 106476. doi:10.1016/j.fuproc.2020.106476 

Mueller, S.; Zimina, A.; Steininger, R.; Flessau, S.; Osswald, J.; Grunwaldt, J.-D. (2020). High stability of Rh oxide-based thermoresistive catalytic combustion sensors proven by operando XAS and XRD. ACS sensors. doi:10.1021/acssensors.0c00712 

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

Neves, R. C.; Klein, B. C.; da Silva, R. J.; Rezende, M. C. A. F.; Funke, A.; Olivarez-Gómez, E.; Bonomi, A.; Maciel-Filho, R. (2020). A vision on biomass-to-liquids (BTL) thermochemical routes in integrated sugarcane biorefineries for biojet fuel production. Renewable & sustainable energy reviews, 119, Art.-Nr. 109607. doi:10.1016/j.rser.2019.109607 

Nielsen, M. R.; Moss, A. B.; Bjørnlund, A. S.; Liu, X.; Knop-Gericke, A.; Klyushin, A. Y.; Grunwaldt, J.-D.; Sheppard, T. L.; Doronkin, D. E.; Zimina, A.; Smitshuysen, T. E. L.; Damsgaard, C. D.; Wagner, J. B.; Hansen, T. W. (2020). Reduction and carburization of iron oxides for Fischer-Tropsch synthesis [in press]. Journal of Energy Chemistry. doi:10.1016/j.jechem.2020.03.026 

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

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

Plessow, P. N.; Studt, F. (2020). How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?. The journal of physical chemistry letters, 11 (11), 4305–4310. doi:10.1021/acs.jpclett.0c01240 

Polierer, S.; Guse, D.; Wild, S.; Herrera Delgado, K.; Otto, T. N.; Zevaco, T. A.; Kind, M.; Sauer, J.; Studt, F.; Pitter, S. (2020). Enhanced Direct Dimethyl Ether Synthesis from CO${}_2$-Rich Syngas with Cu/ZnO/ZrO${}_2$ Catalysts Prepared by Continuous Co-Precipitation. Catalysts, 10 (8), Article: 816. doi:10.3390/catal10080816  

Rai, R. K.; Awasthi, M. K.; Singh, V. K.; Barman, S. R.; Behrens, S.; Singh, S. K. (2020). Aqueous Phase Semihydrogenation of Alkynes over Ni-Fe Bimetallic Catalysts. Catalysis science & technology. doi:10.1039/D0CY01153C 

Sarma, B. B.; Plessow, P. N.; Agostini, G.; Concepción, P.; Pfänder, N.; Kang, L.; Wang, F. R.; Studt, F.; Prieto, G. (2020). Metal-Specific Reactivity in Single-Atom Catalysts: CO Oxidation on 4d and 5d Transition Metals Atomically Dispersed on MgO. Journal of the American Chemical Society, 142 (35), 14890–14902. doi:10.1021/jacs.0c03627 

Sarma, B. B.; Kim, J.; Amsler, J.; Agostini, G.; Weidenthaler, C.; Pfänder, N.; Arenal, R.; Concepción, P.; Plessow, P.; Studt, F.; Prieto, G. (2020). One-Pot Cooperation of Single-Atom Rh and Ru Solid Catalysts for a Selective Tandem Olefin Isomerization-Hydrosilylation Process. Angewandte Chemie / International edition, 59 (14), 5806–5815. doi:10.1002/anie.201915255  

Schade, O.; Dolcet, P.; Nefedov, A.; Huang, X.; Saraçi, E.; Wöll, C.; Grunwaldt, J.-D. (2020). The Influence of the Gold Particle Size on the Catalytic Oxidation of 5-(Hydroxymethyl)furfural. Catalysts, 10 (3), Article: 342. doi:10.3390/catal10030342  

Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Saraci, E.; Barcikowski, S.; Grunwaldt, J.-D. (2020). Selective aerobic oxidation of 5‐(hydroxymethyl)furfural over heterogeneous silver‐gold nanoparticle catalysts. Advanced synthesis & catalysis. doi:10.1002/adsc.202001003 

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

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

Schmitt, C. C.; Moreira, R.; Neves, R. C.; Richter, D.; Funke, A.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2020). From agriculture residue to upgraded product: The thermochemical conversion of sugarcane bagasse for fuel and chemical products. Fuel processing technology, 197, Article: 106199. doi:10.1016/j.fuproc.2019.106199  

Schmitt, S.; Schwarz, S.; Ruwe, L.; Horstmann, J.; Sabath, F.; Maier, L.; Deutschmann, O.; Kohse-Höinghaus, K. (2020). Homogeneous conversion of NO${}_x$ and NH${}_3$ with CH${}_4$, CO, and C${}_2$H${}_4$ at the diluted conditions of exhaust-gases of lean operated natural gas engines [in press]. International journal of chemical kinetics. doi:10.1002/kin.21435  

Schropp, A.; Döhrmann, R.; Botta, S.; Brückner, D.; Kahnt, M.; Lyubomirskiy, M.; Ossig, C.; Scholz, M.; Seyrich, M.; Stuckelberger, M. E.; Wiljes, P.; Wittwer, F.; Garrevoet, J.; Falkenberg, G.; Fam, Y.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G. (2020). PtyNAMi: ptychographic nano-analytical microscope. Journal of applied crystallography, 53 (4), 957–971. doi:10.1107/S1600576720008420  

Şen, A. U.; Fonseca, F. G.; Funke, A.; Pereira, H.; Lemos, F. (2020). Pyrolysis kinetics and estimation of chemical composition of Quercus cerris cork. Biomass Conversion and Biorefinery. doi:10.1007/s13399-020-00964-y 

Serrer, M.-A.; Gaur, A.; Jelic, J.; Weber, S.; Fritsch, C.; Clark, A. H.; Saraçi, E.; Studt, F.; Grunwaldt, J.-D. (2020). Structural dynamics in Ni–Fe catalysts during CO₂ methanation - role of iron oxide clusters. Catalysis science & technology. doi:10.1039/D0CY01396J 

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

Smitshuysen, T. E. L.; Nielsen, M. R.; Pruessmann, T.; Zimina, A.; Sheppard, T. L.; Grunwaldt, J.-D.; Chorkendorff, I.; Damsgaard, C. D. (2020). Optimizing Ni-Fe-Ga alloys into Ni2FeGa for the hydrogenation of CO2 into methanol. ChemCatChem, 12 (12), 3265–3273. doi:10.1002/cctc.202000174 

Stadnichenko, A.; Svintsitskiy, D.; Kibis, L.; Fedorova, E.; Stonkus, O.; Slavinskaya, E.; Lapin, I.; Fakhrutdinova, E.; Svetlichnyi, V.; Romanenko, A.; Doronkin, D.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A. (2020). Influence of Titania Synthesized by Pulsed Laser Ablation on the State of Platinum during Ammonia Oxidation. Applied Sciences, 10 (14), Art. Nr.: 4699. doi:10.3390/app10144699  

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

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

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

Świątek, K.; Gaag, S.; Klier, A.; Kruse, A.; Sauer, J.; Steinbach, D. (2020). Acid hydrolysis of lignocellulosic biomass: Sugars and furfurals formation. Catalysts, 10 (4), Article no: 437. doi:10.3390/catal10040437  

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

Wang, S.; Doronkin, D. E.; Hähsler, M.; Huang, X.; Wang, D.; Grunwaldt, J.-D.; Behrens, S. (2020). Pd-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of H${}_2$O${}_2$. ChemSusChem, 13 (12), 3243–3251. doi:10.1002/cssc.202000407  

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

Wang, W.; Sharapa, D. I.; Chandresh, A.; Nefedov, A.; Heißler, S.; Heinke, L.; Studt, F.; Wang, Y.; Wöll, C. (2020). Interplay of Electronic and Steric Effects to Yield Low‐Temperature CO Oxidation at Metal Single Sites in Defect‐Engineered HKUST‐1. Angewandte Chemie / International edition, 59 (26), 10514–10518. doi:10.1002/anie.202000385  

Wan, S.; Torkashvand, B.; Häber, T.; Suntz, R.; Deutschmann, O. (2020). Investigation of HCHO Catalytic Oxidation over Platinum using Planar Laser-Induced Fluorescence. Applied catalysis / B, 264, Article: 118473. doi:10.1016/j.apcatb.2019.118473 

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

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

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

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

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Carriel Schmitt, C.; Zimina, A.; Fam, Y.; Raffelt, K.; Grunwaldt, J.-D.; Dahmen, N. (2019). Evaluation of High-Loaded Ni-Based Catalysts for Upgrading Fast Pyrolysis Bio-Oil. Catalysts, 9 (9), Article: 784. doi:10.3390/catal9090784  

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

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

Gudun, K. A.; Segizbayev, M.; Adamov, A.; Plessow, P. N.; Lyssenko, K. A.; Balanay, M. P.; Khalimon, A. Y. (2019). POCN Ni(II) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities. Dalton transactions, 48 (5), 1732–1746. doi:10.1039/C8DT04854A 

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Jamshidi, F.; Heimel, H.; Hasert, M.; Cai, X.; Deutschmann, O.; Marschall, H.; Wörner, M. (2019). On suitability of phase-field and algebraic volume-of-fluid OpenFOAM® solvers for gas-liquid microfluidic applications. Computer physics communications, 236, 72–85. doi:10.1016/j.cpc.2018.10.015  

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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 

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

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Gentzen, M.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2018). An intermetallic Pd₂Ga nanoparticle catalyst for the single-step conversion of CO-rich synthesis gas to dimethyl ether. Applied catalysis / A, 562, 206–214. doi:10.1016/j.apcata.2018.04.018 

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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  

Müller, S. A.; Degler, D.; Feldmann, C.; Türk, M.; Moos, R.; Fink, K.; Studt, F.; Gerthsen, D.; Barsan, N.; Grunwaldt, J.-D. (2018). Exploiting Synergies in Catalysis and Gas Sensing using Noble Metal-Loaded Oxide Composites. ChemCatChem, 10 (5), 864–880. doi:10.1002/cctc.201701545 

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

Niethammer, B.; Wodarz, S.; Betz, M.; Haltenort, P.; Oestreich, D.; Hackbarth, K.; Arnold, U.; Otto, T.; Sauer, J. (2018). Alternative Liquid Fuels from Renewable Resources. Chemie - Ingenieur - Technik, 90 (1-2), 99–112. doi:10.1002/cite.201700117  

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

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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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Sprenger, P.; Stehle, M.; Gaur, A.; Gänzler, A. M.; Gashnikova, D.; Kleist, W.; Grunwaldt, J.-D. (2018). Reactivity of Bismuth Molybdates for Selective Oxidation of Propylene Probed by Correlative Operando Spectroscopies. ACS catalysis, 8 (7), 6462–6475. doi:10.1021/acscatal.8b00696 

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

Stoll, K. I.; Herbig, S.; Zwick, M.; Boukis, N.; Sauer, J.; Neumann, A.; Oswald, F. (2018). Fermentation of H₂ and CO₂ with Clostridium ljungdahlii at Elevated Process Pressure – First Experimental Results. Chemical engineering transactions, 64, 151–156. doi:10.3303/CET1864026 

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Egeberg, A.; Dietrich, C.; Kind, C.; Popescu, R.; Gerthsen, D.; Behrens, S.; Feldmann, C. (2017). Bimetallic Nickel-Iridium and Nickel-Osmium Alloy Nanoparticles and Their Catalytic Performance in Hydrogenation Reactions. ChemCatChem, 9 (18), 3534–3543. doi:10.1002/cctc.201700168 

Ferri, D.; Gaur, A.; Grunwaldt, J.-D. (2017). Genesis of a Co-Salicylaldimine Complex on Silica Followed in Situ by FTIR and XAS. ChemPhysChem, 18 (20), 2835–2839. doi:10.1002/cphc.201700550 

Funke, A. (2017). Comparison of intermediate and fast pyrolysis in screw-type reactors. PyNe Newsletter, (41), 3–5. 

Funke, A.; Henrich, E.; Dahmen, N.; Sauer, J. (2017). Dimensional Analysis of Auger-Type Fast Pyrolysis Reactors. Energy technology, 5 (1), 119–129. doi:10.1002/ente.201600095 

Funke, A.; Tomasi Morgano, M.; Dahmen, N.; Leibold, H. (2017). Experimental comparison of two bench scale units for fast and intermediate pyrolysis. Journal of analytical and applied pyrolysis, 124, 504–514. doi:10.1016/j.jaap.2016.12.033 

Gdovinová, V.; Schroer, M. A.; Tomašovičová, N.; Appel, I.; Behrens, S.; Majorošová, J.; Kováč, J.; Svergun, D. I.; Kopčanský, P. (2017). Structuralization of magnetic nanoparticles in 5CB liquid crystals. Soft matter, 13 (43), 7890–7896. doi:10.1039/C7SM01234A 

Goncalves, T. J.; Arnold, U.; Plessow, P. N.; Studt, F. (2017). Theoretical Investigation of the Acid Catalyzed Formation of Oxymethylene Dimethyl Ethers from Trioxane and Dimethoxymethane. ACS catalysis, 7 (5), 3615–3621. doi:10.1021/acscatal.7b00701 

Hengst, K.; Ligthart, D. A. J. M.; Doronkin, D. E.; Walter, K. M.; Kleist, W.; Hensen, E. J. M.; Grunwaldt, J.-D. (2017). Continuous Synthesis of γ-Valerolactone in a Trickle-Bed Reactor over Supported Nickel Catalysts. Industrial & engineering chemistry research, 56 (10), 2680–2689. doi:10.1021/acs.iecr.6b03493 

Hensley, A. J. R.; Ghale, K.; Rieg, C.; Dang, T.; Anderst, E.; Studt, F.; Campbell, C. T.; McEwen, J.-S.; Xu, Y. (2017). DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals. The journal of physical chemistry <Washington, DC> / C, 121 (9), 4937–4945. doi:10.1021/acs.jpcc.6b10187 

Hwang, H.; Sahin, O.; Choi, J. (2017). Manufacturing a super-active carbon using fast pyrolysis char from biomass and correlation study on structural features and phenol adsorption. RSC Advances, 7 (67), 42192–42202. doi:10.1039/c7ra06910c  

Kalz, K.; Kraehnert, R.; Dvoyashkin, M.; Dittmeyer, R.; Gläser, R.; Krewer, U.; Reuter, K.; Grunwaldt, J.-D. (2017). Future Challenges in Heterogeneous Catalysis : Understanding Catalysts under Dynamic Reaction Conditions. ChemCatChem, 9 (1), 17–29. doi:10.1002/cctc.201600996  

Kannepalli, S.; Bürger, A.; Tischer, S.; Deutschmann, O. (2017). Model-Based Optimization of Ammonia Dosing in NH₃-SCR of NOₓ for Transient Driving Cycle : Model Development and Simulation. Emission control science and technology, 3 (4), 249–262. doi:10.1007/s40825-017-0072-4 

Kannepalli, S.; Gremminger, A.; Tischer, S.; Deutschmann, O. (2017). Optimization of axial catalyst loading in transient-operated zone-structured monoliths : Reduction of cumulative emissions in automotive oxidation catalysts. Chemical engineering science, 174, 189–202. doi:10.1016/j.ces.2017.09.013 

Klemm, E.; Kraume, M.; Ritter, J.; Sauer, J. (2017). Reaktionstechnik und Mischvorgänge: Zwei untrennbare Fachgebiete. Chemie - Ingenieur - Technik, 89 (4), 355. doi:10.1002/cite.201770042 

Krause, B.; Stube, M.; Zimin, A.; Steininger, R.; Trappen, M.; Ulrich, S.; Kashani, S. M. M.; Baumbach, T. (2017). Theoretical and experimental study of the gradient properties and the resulting local crystalline structure and orientation in magnetron-sputtered CrAlN coatings with lateral composition and thickness gradient. Journal of applied crystallography, 50, 1000–1010. doi:10.1107/S1600576717006513 

Lange, J.; Müller, F.; Bernecker, K.; Dahmen, N.; Takors, R.; Blombach, B. (2017). Valorization of pyrolysis water : A biorefinery side stream, for 1,2-propanediol production with engineered Corynebacterium glutamicum. Biotechnology for biofuels, 10 (1), Art.Nr.: 277. doi:10.1186/s13068-017-0969-8  

Lautenschütz, L.; Oestreich, D.; Haltenort, P.; Arnold, U.; Dinjus, E.; Sauer, J. (2017). Efficient synthesis of oxymethylene dimethyl ethers (OME) from dimethoxymethane and trioxane over zeolites. Fuel processing technology, 165, 27–33. doi:10.1016/j.fuproc.2017.05.005 

Lautenschütz, L.; Oestreich, D.; Seidenspinner, P.; Arnold, U.; Dinjus, E.; Sauer, J. (2017). Corrigendum to "Physico-chemical properties and fuel characteristics of oxymethylene dialkyl ethers" [Fuel 173 (2016) 129-137]. Fuel, 209, 812. doi:10.1016/j.fuel.2017.07.083 

Li, L.; Plessow, P. N.; Rieger, M.; Sauer, S.; Sánchez-Carrera, R. S.; Schaefer, A.; Abild-Pedersen, F. (2017). Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach. The journal of physical chemistry <Washington, DC> / C, 121 (8), 4261–4269. doi:10.1021/acs.jpcc.6b11549 

Llevot, A.; Monney, B.; Sehlinger, A.; Behrens, S.; Meier, M. A. R. (2017). Highly efficient Tsuji–Trost allylation in water catalyzed by Pd-nanoparticles. Chemical communications, 53 (37), 5175–5178. doi:10.1039/C7CC02380D 

Mahbub, N.; Oyedun, A. O.; Kumar, A.; Oestreich, D.; Arnold, U.; Sauer, J. (2017). A life cycle assessment of oxymethylene ether synthesis from biomass-derived syngas as a diesel additive. Journal of cleaner production, 165, 1249–1262. doi:10.1016/j.jclepro.2017.07.178 

Meller, C.; Bremer, J.; Ankit, K.; Baur, S.; Bergfeldt, T.; Blum, P.; Canic, T.; Eiche, E.; Gaucher, E.; Hagenmeyer, V.; Heberling, F.; Held, S.; Herfurth, S.; Isele, J.; Kling, T.; Kuhn, D.; Mayer, D.; Müller, B.; Nestler, B.; Neumann, T.; Nitschke, F.; Nothstein, A.; Nusiaputra, Y.; Orywall, P.; Peters, M.; Sahara, D.; Schäfer, T.; Schill, E.; Schilling, F.; Schröder, E.; Selzer, M.; Stoll, M.; Wiemer, H.-J.; Wolf, S.; Zimmermann, M.; Kohl, T. (2017). Integrated Research as Key to the Development of a Sustainable Geothermal Energy Technology. Energy technology, 5 (7), 965–1006. doi:10.1002/ente.201600579 

Miao, D.; Cavusoglu, G.; Lichtenberg, H.; Yu, J.; Xu, H.; Grunwaldt, J.-D.; Goldbach, A. (2017). Water-gas shift reaction over platinum/strontium apatite catalysts. Applied catalysis / B, 202, 587–596. doi:10.1016/j.apcatb.2016.09.059 

Mutz, B.; Belimov, M.; Wang, W.; Sprenger, P.; Serrer, M.-A.; Wang, D.; Pfeifer, P.; Kleist, W.; Grunwaldt, J.-D. (2017). Potential of an Alumina-Supported Ni₃Fe Catalyst in the Methanation of CO₂: Impact of Alloy Formation on Activity and Stability. ACS catalysis, 7 (10), 6802–6814. doi:10.1021/acscatal.7b01896 

Mutz, B.; Gänzler, A. M.; Nachtegaal, M.; Müller, O.; Frahm, R.; Kleist, W.; Grunwaldt, J.-D. (2017). Surface Oxidation of Supported Ni Particles and Its Impact on the Catalytic Performance during Dynamically Operated Methanation of CO₂. Catalysts, 7 (9), 279. doi:10.3390/catal7090279  

Nie, Z.; Finck, N.; Heberling, F.; Pruessmann, T.; Liu, C.; Lützenkirchen, J. (2017). Adsorption of Selenium and Strontium on Goethite: EXAFS Study and Surface Complexation Modeling of the Ternary Systems. Environmental science & technology, 51 (7), 3751–3758. doi:10.1021/acs.est.6b06104 

Oestreich, D.; Lautenschütz, L.; Arnold, U.; Sauer, J. (2017). Reaction kinetics and equilibrium parameters for the production of oxymethylene dimethyl ethers (OME) from methanol and formaldehyde. Chemical engineering science, 163, 92–104. doi:10.1016/j.ces.2016.12.037 

Plessow, P. N.; Studt, F. (2017). Unraveling the Mechanism of the Initiation Reaction of the Methanol to Olefins Process Using ab Initio and DFT Calculations. ACS catalysis, 7 (11), 7987–7994. doi:10.1021/acscatal.7b03114 

Raupp, Y. S.; Yildiz, C.; Kleist, W.; Meier, M. A. R. (2017). Aerobic oxidation of α-pinene catalyzed by homogeneous and MOF-based Mn catalysts. Applied catalysis / A, 546, 1–6. doi:10.1016/j.apcata.2017.07.047 

Rodriguez Correa, C.; Otto, T.; Kruse, A. (2017). Influence of the biomass components on the pore formation of activated carbon. Biomass and bioenergy, 97, 53–64. doi:10.1016/j.biombioe.2016.12.017 

Rumancev, C.; von Gundlach, A. R.; Baier, S.; Wittstock, A.; Shi, J.; Benzi, F.; Senkbeil, T.; Stuhr, S.; Garamusx, V. M.; Grunwaldt, J.-D.; Rosenhahn, A. (2017). Morphological analysis of cerium oxide stabilized nanoporous gold catalysts by soft X-ray ASAXS. RSC Advances, 7 (72), 45344–45350. doi:10.1039/C7RA05396G  

Schachtl, E.; Yoo, J. S.; Gutiérrez, O. Y.; Studt, F.; Lercher, J. A. (2017). Impact of Ni promotion on the hydrogenation pathways of phenanthrene on MoS2/γ-Al2O3. Journal of catalysis, 352, 171–181. doi:10.1016/j.jcat.2017.05.003 

Schuler, J.; Hornung, U.; Kruse, A.; Dahmen, N.; Sauer, J. (2017). Hydrothermal Liquefaction of Lignin. Journal of biomaterials and nanobiotechnology, 08 (01), 96–108. doi:10.4236/jbnb.2017.81007  

Sheppard, T. L.; Price, S. W. T.; Benzi, F.; Baier, S.; Klumpp, M.; Dittmeyer, R.; Schwieger, W.; Grunwaldt, J.-D. (2017). In Situ Multimodal 3D Chemical Imaging of a Hierarchically Structured Core@Shell Catalyst. Journal of the American Chemical Society, 139 (23), 7855–7863. doi:10.1021/jacs.7b02177 

Shi, X.; Siahrostami, S.; Li, G.-L.; Zhang, Y.; Chakthranont, P.; Studt, F.; Jaramillo, T. F.; Zheng, X.; Nørskov, J. K. (2017). Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide. Nature Communications, 8 (1), Art. Nr.: 701. doi:10.1038/s41467-017-00585-6  

Siahrostami, S.; Li, G.; Nørskov, J. K.; Studt, F. (2017). Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes. Catalysis letters, 147 (11), 1–8. doi:10.1007/s10562-017-2200-8 

Silve, A.; Papachristou, I.; Wüstner, R.; Sträßner, R.; Schirmer, M.; Leber, K.; Guo, B.; Interrante, L.; Posten, C.; Frey, W. (2017). Extraction of lipids from wet microalga Auxenochlorella protothecoides using pulsed electric field treatment and ethanol-hexane blends. Algal Research, 29, 212–222. doi:10.1016/j.algal.2017.11.016  

Sprenger, P.; Kleist, W.; Grunwaldt, J.-D. (2017). Recent Advances in Selective Propylene Oxidation over Bismuth Molybdate Based Catalysts: Synthetic, Spectroscopic, and Theoretical Approaches. ACS catalysis, 7 (9), 5628–5642. doi:10.1021/acscatal.7b01149 

Steinbach, D.; Kruse, A.; Sauer, J. (2017). Pretreatment technologies of lignocellulosic biomass in water in view of furfural and 5-hydroxymethylfurfural production- A review. Biomass Conversion and Biorefinery, 7 (2), 247–274. doi:10.1007/s13399-017-0243-0 

Sun, C.; Klumpp, M.; Binder, J. R.; Pfeifer, P.; Dittmeyer, R. (2017). Einstufige Treibstoffsynthese mittels gedruckter Katalysatorschichten in mikrostrukturierten Reaktoren = One-Stage Syngas-to-Fuel Conversion with Printed Catalyst Layers in Microstructured Reactors. Chemie - Ingenieur - Technik, 89 (7), 894–902. doi:10.1002/cite.201600180 

Syurik, J.; Schwaiger, R.; Sudera, P.; Weyand, S.; Johnsen, S.; Wiegand, G.; Hölscher, H. (2017). Bio-inspired micro-to-nanoporous polymers with tunable stiffness. Beilstein journal of nanotechnology, 8, 906–914. doi:10.3762/bjnano.8.92  

Syurik, J.; Siddique, R. H.; Dollmann, A.; Gomard, G.; Schneider, M.; Worgull, M.; Wiegand, G.; Hölscher, H. (2017). Bio-inspired, large scale, highly-scattering films for nanoparticle-alternative white surfaces. Scientific reports, 7, Art. Nr.: 46637. doi:10.1038/srep46637  

Tofighi, G.; Lichtenberg, H.; Pesek, J.; Sheppard, T. L.; Wang, W.; Schöttner, L.; Rinke, G.; Dittmeyer, R.; Grunwaldt, J.-D. (2017). Continuous microfluidic synthesis of colloidal ultrasmall gold nanoparticles : in situ study of the early reaction stages and application for catalysis. Reaction chemistry & engineering, 2 (6), 876–884. doi:10.1039/C7RE00114B 

Traulsen, M. L.; de Carvalho, H. W. P.; Zielke, P.; Grunwaldt, J.-D. (2017). The Effect of Electrical Polarization on Electronic Structure in LSM Electrodes: An Operando XAS, RIXS and XES Study. Journal of the Electrochemical Society, 164 (10), F3064–F3072. doi:10.1149/2.0091710jes 

Vitova, T.; Pidchenko, I.; Fellhauer, D.; Bagus, P. S.; Joly, Y.; Pruessmann, T.; Bahl, S.; Gonzalez-Robles, E.; Rothe, J.; Altmaier, M.; Denecke, M. A.; Geckeis, H. (2017). The role of the 5f valence orbitals of early actinides in chemical bonding. Nature Communications, 8, 16053. doi:10.1038/ncomms16053  

Yang, C.; Yu, X.; Pleßow, P. N.; Heißler, S.; Weidler, P. G.; Nefedov, A.; Studt, F.; Wang, Y.; Wöll, C. (2017). Rendering Photoreactivity to Ceria: The Role of Defects. Angewandte Chemie / International edition, 56 (45), 14301–14305. doi:10.1002/anie.201707965 

Zhang, S.; Fu, R.; Wang, S.; Gu, Y.; Chen, S. (2017). Novel nanocellulose/conducting polymer composite nanorod films with improved electrochromic performances. Materials letters, 202, 127–130. doi:10.1016/j.matlet.2017.05.044 

Zimina, A.; Dardenne, K.; Denecke, M. A.; Doronkin, D. E.; Huttel, E.; Lichtenberg, H.; Mangold, S.; Pruessmann, T.; Rothe, J.; Spangenberg, T.; Steininger, R.; Vitova, T.; Geckeis, H.; Grunwaldt, J.-D. (2017). CAT-ACT—A new highly versatile x-ray spectroscopy beamline for catalysis and radionuclide science at the KIT synchrotron light facility ANKA. Review of scientific instruments, 88 (11), Art. Nr.: 113113. doi:10.1063/1.4999928 

Kruse, A. (2016). Supercritical Water Gasification for Biomass-Based Hydrogen Production. Hydrogen Science and Engineering : Materials, Processes, Systems and Technology. Ed. D. Stolten, 109–129, Wiley-VCH Verlag. doi:10.1002/9783527674268.ch06 

Ahmad, R.; Arnold, U.; Deutsch, D.; Döring, M.; Sauer, J. (2016). Passivation and reactivation of catalyst systems for the single step synthesis of dimethyl ether from CO-rich synthesis gas. Journal of molecular catalysis / A, 422, 207–215. doi:10.1016/j.molcata.2015.12.029 

Aljama, H.; Yoo, J. S.; Nørskov, J. K.; Abild-Pedersen, F.; Studt, F. (2016). Methanol Partial Oxidation on Ag(1 1 1) from First Principles. ChemCatChem, 8 (23), 3621–3625. doi:10.1002/cctc.201601053 

Appel, I.; Behrens, S. (2016). Influence of the particle parameters on the stability of magnetic dopants in a ferrolyotropic suspension. Journal of magnetism and magnetic materials, 431, 49–53. doi:10.1016/j.jmmm.2016.09.053 

Baier, S.; Damsgaard, C. D.; Scholz, M.; Benzi, F.; Rochet, A.; Hoppe, R.; Scherer, T.; Shi, J.; Wittstock, A.; Weinhausen, B.; Wagner, J. B.; Schroer, C. G.; Grunwaldt, J.-D. (2016). In Situ Ptychography of Heterogeneous Catalysts using Hard X-Rays: High Resolution Imaging at Ambient Pressure and Elevated Temperature. Microscopy and microanalysis, 22 (1), 178–188. doi:10.1017/S1431927615015573 

Bär, J. N.; Rocha, M. I.; De Oliveira, E. J.; Deutschmann, O. (2016). Impact of sulfur on catalytic partial oxidation of jet fuel surrogates over Rh/Al₂O₃. International journal of hydrogen energy, 41 (5), 3701–3711. doi:10.1016/j.ijhydene.2015.12.015 

Bär, J.; Antinori, C.; Maier, L.; Deutschmann, O. (2016). Spatial Concentration Profiles for the Catalytic Partial Oxidation of Jet Fuel Surrogates in a Rh/Al₂O₃ Coated Monolith. Catalysts, 6 (12), Art. Nr.: 207. doi:10.3390/catal6120207  

Behrens, S.; Appel, I. (2016). Magnetic nanocomposites. Current opinion in biotechnology, 39, 89–96. doi:10.1016/j.copbio.2016.02.005 

Boubnov, A.; Roppertz, A.; Kundrat, M. D.; Mangold, S.; Reznik, B.; Jacob, C. R.; Kureti, S.; Grunwaldt, J.-D. (2016). Towards advanced structural analysis of iron oxide clusters on the surface of γ-Al2O3 using EXAFS. Applied surface science, 386, 234–246. doi:10.1016/j.apsusc.2016.05.148 

Breunig, M. (2016). Direct liquefaction of lignin and lignocellulose by catalytic hydrogenolysis. PyNe Newsletter, (39), 6–8. 

Bujnowski, K.; Synoradzki, L.; Darłak, R. C.; Zevaco, T. A.; Dinjus, E. (2016). Semi-synthetic zwitterionic rifamycins: A promising class of antibiotics; Survey of their chemistry and biological activities. RSC Advances, 6 (115), 114758–114772. doi:10.1039/c6ra22880a 

Burger, J.; Hasse, H.; Härtl, M.; Wachtmeister, G.; Arnold, U.; Sauer, J. (2016). Oxymethylene Dimethyl Ethers (OMEs) : Alternative Diesel Fuels for Low-Emission Combustion. Chemie - Ingenieur - Technik, 88 (9), 1259. doi:10.1002/cite.201650368 

Cai, X.; Wörner, M.; Marschall, H.; Deutschmann, O. (2016). Numerical study on the wettability dependent interaction of a rising bubble with a periodic open cellular structure. Catalysis today, 273, 151–160. doi:10.1016/j.cattod.2016.03.053 

Cavusoglu, G.; Dallmann, F.; Lichtenberg, H.; Goldbach, A.; Dittmeyer, R.; Grunwaldt, J.-D. (2016). In situ characterization of catalysts and membranes in a microchannel under high-temperature water gas shift reaction conditions. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012054. doi:10.1088/1742-6596/712/1/012054  

Cavusoglu, G.; Lichtenberg, H.; Gaur, A.; Goldbach, A.; Grunwaldt, J.-D. (2016). Flame made ceria supported noble metal catalysts for efficient H₂ production via the water gas shift reaction. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012065. doi:10.1088/1742-6596/712/1/012065  

Dahmen, N.; Abeln, J.; Eberhard, M.; Kolb, T.; Leibold, H.; Sauer, J.; Stapf, D.; Zimmerlin, B. (2016). The bioliq process for producing synthetic transportation fuels. Wiley interdisciplinary reviews / Energy and Environment, 6 (3), Article no e236. doi:10.1002/wene.236 

Dahmen, N.; Hornung, U.; Schuler, J.; Schmiedl, D.; Rohde, V. (2016). Bifunktionelle Synthesebausteine durch hydrothermale Verflüssigung von Organosolv-Lignin. Chemie - Ingenieur - Technik, 88 (9), 1412. doi:10.1002/cite.201650501 

Doronkin, D. E.; Baier, S.; Sheppard, T.; Benzi, F.; Grunwaldt, J.-D. (2016). Lithographically fabricated silicon microreactor for operando QEXAFS studies in exhaust gas catalysis during simulation of a standard driving cycle. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012030. doi:10.1088/1742-6596/712/1/012030  

Doronkin, D. E.; Kuriganova, A. B.; Leontyev, I. N.; Baier, S.; Lichtenberg, H.; Smirnova, N. V.; Grunwaldt, J.-D. (2016). Electrochemically Synthesized Pt/Al₂O₃ Oxidation Catalysts. Catalysis letters, 146 (1), 452–463. doi:10.1007/s10562-015-1651-z 

Dörsam, S.; Kirchhoff, J.; Bigalke, M.; Dahmen, N.; Syldatk, C.; Ochsenreither, K. (2016). Evaluation of Pyrolysis Oil as Carbon Source for Fungal Fermentation. Frontiers in microbiology, 7, Art.Nr. 2059. doi:10.3389/fmicb.2016.02059  

Elsayed, S.; Boukis, N.; Patzelt, D.; Hindersin, S.; Kerner, M.; Sauer, J. (2016). Gasification of Microalgae Using Supercritical Water and the Potential of Effluent Recycling. Chemical Engineering and Technology, 39 (2), 335–342. doi:10.1002/ceat.201500146 

Falconi, C. J.; Lehrenfeld, C.; Marschall, H.; Meyer, C.; Abiev, R.; Bothe, D.; Reusken, A.; Schlüter, M.; Wörner, M. (2016). Numerical and experimental analysis of local flow phenomena in laminar Taylor flow in a square mini-channel. Physics of Fluids, 28 (1), 012109. doi:10.1063/1.4939498 

Feng, P.; Lin, W.; Jensen, P. A.; Song, W.; Hao, L.; Raffelt, K.; Dam-Johansen, K. (2016). Entrained flow gasification of coal/bio-oil slurries. Energy, 111 (Sept 15), 793–802. doi:10.1016/j.energy.2016.05.115 

Funke, A.; Niebel, A.; Richter, D.; Abbas, M. M.; Müller, A.-K.; Radloff, S.; Paneru, M.; Maier, J.; Dahmen, N.; Sauer, J. (2016). Fast pyrolysis char - Assessment of alternative uses within the bioliq® concept. Bioresource Technology, 200, 905–913. doi:10.1016/j.biortech.2015.11.012 

Funke, A.; Richter, D.; Niebel, A.; Dahmen, N.; Sauer, J. (2016). Fast pyrolysis of biomass residues in a twin-screw mixing reactor. Journal of visualized experiments, (115), e54395. doi:10.3791/54395 

Gänzler, A. M.; Lichtenberg, H.; Frenkel, A. I.; Casapu, M.; Boubnov, A.; Wang, D.; Grunwaldt, J.-D. (2016). Using combined XAS/DRIFTS to study CO/NO Oxidation over Pt/Al2O3 catalysts. Journal of physics / Conference Series, 712 (1), Art. Nr.: 012045. doi:10.1088/1742-6596/712/1/012045  

Garcia-Pintos, D.; Voss, J.; Jensen, A. D.; Studt, F. (2016). Hydrodeoxygenation of Phenol to Benzene and Cyclohexane on Rh(111) and Rh(211) Surfaces: Insights from Density Functional Theory. The journal of physical chemistry <Washington, DC> / C, 120 (33), 18529–18537. doi:10.1021/acs.jpcc.6b02970 

Gentzen, M.; Habicht, W.; Doronkin, D. E.; Grunwaldt, J.-D.; Sauer, J.; Behrens, S. (2016). Bifunctional hybrid catalysts derived from Cu/Zn-based nanoparticles for single-step dimethyl ether synthesis. Catalysis science & technology, 6 (4), 1054–1063. doi:10.1039/c5cy01043h 

Gmeiner, J.; Behrens, S.; Spliethoff, B.; Trapp, O. (2016). Ruthenium Nanoparticles in High-Throughput Studies of Chemoselective Carbonyl Hydrogenation Reactions. ChemCatChem, 8 (3), 571–576. doi:10.1002/cctc.201501069 

Gmeiner, J.; Seibicke, M.; Behrens, S.; Spliethoff, B.; Trapp, O. (2016). Investigation of the Hydrogenation of 5-Methylfurfural by Noble Metal Nanoparticles in a Microcapillary Reactor. ChemSusChem, 9 (6), 583–587. doi:10.1002/cssc.201600045 

Grunwaldt, H. S.; Zimina, A.; Göttlicher, J.; Steininger, R.; Grunwaldt, J.-D. (2016). Study of the relation between Mg content and dissolution kinetics of natural lime stone using μxRF, μxRD and μxAS. Journal of physics / Conference Series, 712 (1), 012144. doi:10.1088/1742-6596/712/1/012144  

Grunwaldt, J.-D.; Hagelstein, M.; Rothe, J. (2016). The 16th International Conference on X-ray Absorption Fine Structure (XAFS16). Journal of physics / Conference Series, 712 (1), 011001. doi:10.1088/1742-6596/712/1/011001  

Günter, T.; Doronkin, D. E.; Boubnov, A.; Carvalho, H. W. P.; Casapu, M.; Grunwaldt, J.-D. (2016). The SCR of NOx with NH3 Examined by Novel X-ray Emission and X-ray Absorption Methods. Topics in catalysis, 59 (10-12), 866–874. doi:10.1007/s11244-016-0561-7 

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