Scientific Publications

Abdel-Mageed, A. M.; Klyushin, A.; Knop-Gericke, A.; Schlögl, R.; Behm, R. J.: Influence of CO on the Activation, O-Vacancy Formation, and Performance of Au/ZnO Catalysts in CO₂ Hydrogenation to Methanol. The Journal of Physical Chemistry Letters 10 (13), pp. 3645 - 3653 (2019)

Abdel-Mageed, A. M.; Klyushin, A.; Rezvani, A.; Knop-Gericke, A.; Schlögl, R.; Behm, R. J.: Ladungszustand von Au‐Nanopartikeln während der Methanolsynthese aus CO₂/H₂ an Au/ZnO‐Katalysatoren: Einsichten aus Operando IR‐Spektroskopie und In‐situ XPS‐ und XAS‐Messungen. Angewandte Chemie 131 (30), pp. 10431 - 10436 (2019)

Abdel-Mageed, A. M.; Klyushin, A.; Rezvani, A.; Knop-Gericke, A.; Schlögl, R.; Behm, R. J.: Negative Charging of Au Nanoparticles during Methanol Synthesis from CO_₂/H_₂ on a Au/ZnO Catalyst: Insights from Operando Infrared and Near‐ambient Pressure XPS and XAS. Angewandte Chemie International Edition 58 (30), pp. 10325 - 10329 (2019)

Abdulhussein, H. A.; Ferrari, P.; Vanbuel, J.; Heard, C.; Fielicke, A.; Lievens, P.; Janssens, E.; Johnston, R. L.: Altering CO binding on gold cluster cations by Pd-doping. Nanoscale 11 (34), pp. 16130 - 16141 (2019)

Ahmadi, M.; Timoshenko, J.; Behafarid, F.; Roldan Cuenya, B.: Tuning the Structure of Pt Nanoparticles through Support Interactions: An In Situ Polarized X-ray Absorption Study Coupled with Atomistic Simulations. The Journal of Physical Chemistry C 123 (16), pp. 10666 - 10676 (2019)

Alberi, K.; Nardelli, M. B.; Zakutayev, A.; Mitas, L.; Curtarolo, S.; Jain, A.; Fornari, M.; Marzari, N.; Takeuchi, I.; Green, M. L. et al.; Kanatzidis, M.; Toney, M. F.; Butenko, S.; Meredig, B.; Lany, S.; Kattner, U. R.; Davydov, A.; Toberer, E. S.; Stevanovic, V.; Walsh, A.; Park, N.-G.; Aspuru-Guzik, A.; Tabor, D. P.; Nelson, J.; Murphy, J.; Setlur, A.; Gregoire, J.; Li, H.; Xiao, R.; Ludwig, A.; Martin, L. W.; Rappe, A. M.; Wei, S.-H.; Perkins, J.: The 2019 materials by design roadmap. Journal of Physics D: Applied Physics 52 (1), 013001 (2019)

Alekhin, A.; Razdolski, I.; Berritta, M.; Bürstel, D.; Temnov, V.; Diesing, D.; Bovensiepen, U.; Woltersdorf, G.; Oppeneer, P. M.; Melnikov, A.: Magneto-optical properties of Au upon the injection of hot spin-polarized electrons across Fe/Au(0 0 1) interfaces. Journal of Physics: Condensed Matter 31 (12), 124002 (2019)

Ali, H.; Seidel, R.; Bergmann, A.; Winter, B.: Electronic structure of aqueous-phase anatase titanium dioxide nanoparticles probed by liquid jet photoelectron spectroscopy. Journal of Materials Chemistry A 7 (12), pp. 6665 - 6675 (2019)

Ali, H.; Seidel, R.; Bergmann, A.; Winter, B.: Cover: Electronic structure of aqueous-phase anatase titanium dioxide nanoparticles probed by liquid jet photoelectron spectroscopy. Journal of Materials Chemistry A 7 (12), p. 6575 - 6575 (2019)

Amakawa, K.; Wang, Y.; Kröhnert, J.; Schlögl, R.; Trunschke, A.: Acid sites on silica-supported molybdenum oxides probed by ammonia adsorption: Experiment and theory. Molecular Catalysis 478, 110580 (2019)

Andersen, M.; Cingolani, J. S.; Reuter, K.: Ab Initio Thermodynamics of Hydrocarbons Relevant to Graphene Growth at Solid and Liquid Cu Surfaces. The Journal of Physical Chemistry C 123 (36), pp. 22299 - 22310 (2019)

Andersen, M.; Panosetti , C.; Reuter, K.: A Practical Guide to Surface Kinetic Monte Carlo Simulations. Frontiers in Chemistry 7 (4), 202 (2019)

Andersen, M.; Levchenko, S. V.; Scheffler, M.; Reuter, K.: Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis 9 (4), pp. 2752 - 2759 (2019)

Anke, S.; Bendt, G.; Sinev, I.; Hajiyani, H. R.; Antoni, H.; Zegkinoglou, I.; Jeon, H.; Pentcheva, R.; Roldan Cuenya, B.; Schulz, S. et al.; Muhler, M.: Selective 2-Propanol Oxidation over Unsupported Co₃O₄ Spinel Nanoparticles: Mechanistic Insights into Aerobic Oxidation of Alcohols. ACS Catalysis 9 (7), pp. 5974 - 5985 (2019)

Attia, S.; Spadafora, E. J.; Hartmann, J.; Freund, H.-J.; Schauermann, S.: Molecular beam/infrared reflection-absorption spectroscopy apparatus for probing heterogeneously catalyzed reactions on functionalized and nanostructured model surfaces. Review of Scientific Instruments 90 (5), 053903 (2019)

Bagger, A.; Aran Ais, R.; Stenlid, J. H.; Santos, E. C. d.; Arnarson, L.; Jensen, K. D.; Escudero-Escribano, M.; Roldan Cuenya, B.; Rossmeisl, J.: Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions. ChemPhysChem 20 (22), pp. 3096 - 3105 (2019)

Bagus, P. S.; Nelin, C. J.; Levchenko, S. V.; Zhao, X.; Davis, E.; Kuhlenbeck, H.; Freund, H.-J.: Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics 21 (45), pp. 25431 - 25438 (2019)

Bagus, P. S.; Nelin, C. J.; Zhao, X.; Levchenko, S. V.; Davis, E.; Weng, X.; Späth, F.; Papp, C.; Kuhlenbeck, H.; Freund, H.-J.: Revisiting surface core-level shifts for ionic compounds. Physical Review B 100 (11), 115419 (2019)

Barroo, C.; Wang, Z.-J.; Willinger, M. G.: Imaging Reaction Dynamics on Inverse Model Catalyst Surfaces by In Situ Environmental SEM. Microscopy and Microanalysis 25 (S2), pp. 510 - 511 (2019)

Barroo, C.; Wang, Z.-J.; Schlögl, R.; Willinger, M. G.: Imaging the dynamics of catalysed surface reactions by in situ scanning electron microscopy. Nature Catalysis 3 (1), pp. 30 - 39 (2019)