Publikationen

Zeitschriftenartikel

Wang, Y., H. Arandiyan, S.A. Bartlett, A. Trunschke, H. Sun, J. Scott, A.F. Lee, K. Wilson, T. Maschmeyer, R. Schlögl und R. Amal: Inducing synergy in bimetallic RhNi catalysts for CO₂ methanation by galvanic replacement. Applied Catalysis B 277, 119029 (2020).

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supplementary-material

Zeitschriftenartikel

Wang, Z.-J., J. Dong, L. Li, G. Dong, Y. Cui, Y. Yang, W. Wei, R. Blume, Q. Li, L. Wang, X. Xu, K. Liu, C. Barroo, J.W.M. Frenken, Q. Fu, X. Bao, R. Schlögl, F. Ding und M.G. Willinger: The coalescence behavior of two-dimensional materials revealed by multiscale in situ imaging during chemical vapor deposition growth. ACS Nano 14 (2), 1902–1918 (2020).

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Zeitschriftenartikel

Warnecke, J., M. Mayer, M. Rohdenburg, X. Ma, J.K.Y. Liu, M. Grellmann, S. Debnath, V.A. Azov, E. Apra, R.P. Young, C. Jenne, G.E. Johnson, H.I. Kenttämaa, K.R. Asmis und J. Laskin: Direct functionalization of C-H bonds by electrophilic anions. Proceedings of the National Academy of Sciences of the United States of America 117 (38), 23374–23379 (2020).

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Zeitschriftenartikel

Werny, M.J., Y. Wang, F. Girgsdies, R. Schlögl und A. Trunschke: Fluctuating Storage of the Active Phase in a Mn‐Na₂WO₄/SiO₂ Catalyst for the Oxidative Coupling of Methane. Angewandte Chemie 132 (35), 15031–15036 (2020).

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Zeitschriftenartikel

Werny, M.J., Y. Wang, F. Girgsdies, R. Schlögl und A. Trunschke: Fluctuating Storage of the Active Phase in a Mn‐Na₂WO₄/SiO₂ Catalyst for the Oxidative Coupling of Methane. Angewandte Chemie International Edition 59 (35), 14921–14926 (2020).

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Zeitschriftenartikel

Windsor, Y.W., A. Ernst, K. Kummer, K. Kliemt, C. Schüßler-Langeheine, N. Pontius, U. Staub, E.V. Chulkov, C. Krellner, D.V. Vyalikh und L. Rettig: Deterministic control of an antiferromagnetic spin arrangement using ultrafast optical excitation. Communications Physics 3, 139 (2020).

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Zeitschriftenartikel

Windsor, Y.W., M. Ramakrishnan, L. Rettig, A. Alberca, T. Lippert, C.W. Schneider und U. Staub: Multiple magnetic ordering phenomena in multiferroic o-HoMnO₃. Physical Review B 102 (21), 214423 (2020).

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Zeitschriftenartikel

Wolf, E., M.-M. Millet, F. Seitz, F.A. Redeker, W. Riedel, G. Scholz, W. Hetaba, D. Teschner, S. Wrabetz, F. Girgsdies, A. Klyushin, T. Risse, S. Riedel und E. Frei: F-doping of nanostructured ZnO: a way to modify structural, electronic, and surface properties. Physical Chemistry Chemical Physics 22 (20), 11273–11285 (2020).

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Zeitschriftenartikel

Wolf, M. und D.R.T. Zahn: Den Molekülen auf die Atome geschaut: Takashi Kumagai erhält Gaede-Preis 2020. Vakuum in Forschung und Praxis 32 (1), 14–16 (2020).

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Zeitschriftenartikel

Wouters, C., C.A. Sutton, L.M. Ghiringhelli, T. Markut, R. Schewski, A. Hassa, H. Von Wenckstern, M. Grundmann, M. Scheffler und M. Albrecht: Investigating the ranges of (meta)stable phase formation in (In_xGa_1−x)₂O₃: Impact of the cation coordination. Physical Review Materials 4 (12), 125001 (2020).

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Zeitschriftenartikel

Xian, R.P., Y. Acremann, S.Y. Agustsson, M.R. Dendzik, K. Bühlmann, D. Curcio, D. Kutnyakhov, F. Pressacco, M. Heber, S. Dong, T. Pincelli, J. Demsar, W. Wurth, P. Hofmann, M. Wolf, M. Scheidgen, L. Rettig und R. Ernstorfer: An open-source, end-to-end workflow for multidimensional photoemission spectroscopy. Scientific Data 7, 442 (2020).

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Zeitschriftenartikel

Zacharias, M., M. Scheffler und C. Carbogno: Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures. Physical Review B 102 (4), 045126 (2020).

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Zeitschriftenartikel

Zahn, D., P.-N. Hildebrandt, T. Vasileiadis, Y.W. Windsor, Y. Qi, H. Seiler und R. Ernstorfer: Anisotropic Nonequilibrium Lattice Dynamics of Black Phosphorus. Nano Letters 20 (5), 3728–3733 (2020).

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Zeitschriftenartikel

Zhang, X., P. Yan, J. Xu, F. Li, F. Herold, B.J.M. Etzold, P. Wang, D.S. Su, S. Lin, W. Qi und Z. Xie: Methanol conversion on borocarbonitride catalysts: Identification and quantification of active sites. Science Advances 6 (26), eaba5778 (2020).

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Zeitschriftenartikel

Zhong, J.Q., Z.-K. Han, K. Werner, X.Y. Li, Y. Gao, S.K. Shaikhutdinov und H.-J. Freund: Water‐Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface. Angewandte Chemie International Edition 59 (15), 6150–6154 (2020).

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Zeitschriftenartikel

Zhong, J.Q., Z.-K. Han, K. Werner, X.Y. Li, Y. Gao, S.K. Shaikhutdinov und H.-J. Freund: Wasserunterstützte homolytische Dissoziation von Propin auf reduzierter Ceroxidoberfläche. Angewandte Chemie 132 (15), 6206–6211 (2020).

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Zeitschriftenartikel

Zhukov, S.S., V. Balos, G. Hoffman, S. Alom, M. Belyanchikov, M. Nebioglu, S. Roh, A. Pronin, G.R. Bacanu, P. Abramov, M. Wolf, M. Dressel, M.H. Levitt, R.J. Whitby, B. Gorshunov und M. Sajadi: Rotational coherence of encapsulated ortho and para water in fullerene-C₆₀ revealed by time-domain terahertz spectroscopy. Scientific Reports 10 (1), 18329 (2020).

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Zeitschriftenartikel

Zwaschka, G., I. Nahalka, A. Marchioro, Y. Tong, S. Roke und R.K. Campen: Imaging the Heterogeneity of the Oxygen Evolution Reaction on Gold Electrodes Operando: Activity is Highly Local. ACS Catalysis 10 (11), 6084–6093 (2020).

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2019

Zeitschriftenartikel

Abdel-Mageed, A.M., A. Klyushin, A. Knop-Gericke, R. Schlögl und R.J. Behm: 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), 3645–3653 (2019).

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supplementary-material

Zeitschriftenartikel

Abdel-Mageed, A.M., A. Klyushin, A. Rezvani, A. Knop-Gericke, R. Schlögl und R.J. Behm: 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), 10431–10436 (2019).

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Zeitschriftenartikel

Abdel-Mageed, A.M., A. Klyushin, A. Rezvani, A. Knop-Gericke, R. Schlögl und R.J. Behm: 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), 10325–10329 (2019).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Ahmadi, M., J. Timoshenko, F. Behafarid und B. Roldan Cuenya: 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), 10666–10676 (2019).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Alekhin, A., I. Razdolski, M. Berritta, D. Bürstel, V. Temnov, D. Diesing, U. Bovensiepen, G. Woltersdorf, P.M. Oppeneer und A. Melnikov: 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).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Alvarez-Galvan, C., M. Melian, L. Ruiz-Matas, J.L. Eslava, R.M. Navarro, M. Ahmadi, B. Roldan Cuenya und J.L.G. Fierro: Partial Oxidation of Methane to Syngas Over Nickel-Based Catalysts: Influence of Support Type, Addition of Rhodium, and Preparation Method. Frontiers in Chemistry 7, 104 (2019).

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Zeitschriftenartikel

Alvermann, A., A. Basermann, H.-J. Bungartz, C. Carbogno, D. Ernst, H. Fehske, Y. Futamura, M. Galgon, G. Hager, S. Huber, T. Huckle, A. Ida, A. Imakura, M. Kawai, S. Köcher, M. Kreutzer, P. Kus, B. Lang, H. Lederer, V. Manin, A. Marek, K. Nakajima, L. Nemec, K. Reuter, M. Rippl, M. Röhrig-Zöllner, T. Sakurai, M. Scheffler, C. Scheurer, F. Shahzad, D. Simoes Brambila, J. Thies und G. Wellein: Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 36 (2), 699–717 (2019).

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Zeitschriftenartikel

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

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supplementary-material

Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Attia, S., E.J. Spadafora, J. Hartmann, H.-J. Freund und S. Schauermann: 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).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Barroo, C., Z.-J. Wang und M.G. Willinger: Pattern Formation in Catalyzed Surface Reactions Studied by In Situ SEM. Microscopy and Microanalysis 25 (S1), 39–40 (2019).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Bartel, C.J., C.A. Sutton, B.R. Goldsmith, R. Ouyang, C.B. Musgrave, L.M. Ghiringhelli und M. Scheffler: New tolerance factor to predict the stability of perovskite oxides and halides. Science Advances 5 (2), eaav0693 (2019).

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Zeitschriftenartikel

Belviso, F., V.E.P. Claerbout, A. Comas-Vives, N.S. Dalal, F.-R. Fan, A. Filippetti, V. Fiorentini, L. Foppa, C. Franchini, B. Geisler, L.M. Ghiringhelli, A. Groß, S. Hu, J. Íñiguez, S.K. Kauwe, J.L. Musfeldt, P. Nicolini, R. Pentcheva, T. Polcar, W. Ren, F. Ricci, F. Ricci, H.S. Sen, J.M. Skelton, T.D. Sparks, A. Stroppa, A. Urru, M. Vandichel, P. Vavassori, H. Wu, K. Yang, H.J. Zhao, D. Puggioni, R. Cortese und A. Cammarata: Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. Inorganic Chemistry 58 (22), 14939–14980 (2019).

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Zeitschriftenartikel

Bergmann, A. und B. Roldan Cuenya: Operando Insights into Nanoparticle Transformations during Catalysis. ACS Catalysis 9 (11), 10020–10043 (2019).

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Zeitschriftenartikel

Bikaljevic, D., R. Rameshan, N. Köpfle, T. Götsch, E. Mühlegger, R. Schlögl, S. Penner, N. Memmel und B. Klötzer: Structural and kinetic aspects of CO oxidation on ZnO_x-modified Cu surfaces. Applied Catalysis A 572, 151–157 (2019).

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Zeitschriftenartikel

Bloch, E., S. Beaulieu, D. Descamps, S. Petit, F. Légaré, A. Magunov, Y. Mairesse und V. Strelkov: Hyper-Raman lines emission concomitant with high-order harmonic generation. New Journal of Physics 21 (7), 073006 (2019).

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Zeitschriftenartikel

Blowey, P.J., R.J. Maurer, L.A. Rochford, D.A. Duncan, J.-H. Kang, D.A. Warr, A.J. Ramadan, T.-L. Lee, P.K. Thakur, G. Costantini, K. Reuter und D.P. Woodruff: The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both? The Journal of Physical Chemistry C 123 (13), 8101–8111 (2019).

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Zeitschriftenartikel

Böckmann, H., S. Liu, M. Müller, A. Hammud, M. Wolf und T. Kumagai: Near-Field Manipulation in a Scanning Tunneling Microscope Junction with Plasmonic Fabry-Pérot Tips. Nano Letters 19 (6), 3597–3602 (2019).

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Zeitschriftenartikel

Böckmann, H., M. Müller, A. Hammud, M.G. Willinger, M. Pszona, J. Waluk, M. Wolf und T. Kumagai: Near-Field Spectral Response of Optically Excited Scanning Tunneling Microscope Junctions Probed by Single-Molecule Action Spectroscopy. The Journal of Physical Chemistry Letters 10, 2068–2074 (2019).

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