Publications

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Journal Article

Kozlowski, J.T., M. Behrens, R. Schlögl and R.J. Davis: Influence of Precipitation Method on Acid-Base Catalyzed Reactions over Mg-Zr Mixed Oxides. ChemCatChem 5 (7), 1989–1997 (2013).

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Kreikemeyer-Lorenzo, D., W. Unterberger, R. Blume, M. Hävecker, T. Rocha, A. Knop-Gericke, R. Schlögl, T.J. Lerotholi, D.A. Duncan and D.P. Woodruff: Quantitative adsorbate structure determination under catalytic reaction conditions. Physical Review B 87 (12), 125420 (2013).

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Kreikemeyer-Lorenzo, D., W. Unterberger, D.A. Duncan, T.J. Lerotholi and D.P. Woodruff: The local structure of the azobenzene/aniline reaction intermediate on TiO₂(110). Surface Science 613, 40–47 (2013).

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Kristiansen, P.T., T. Rocha, A. Knop-Gericke, J.H. Guo and L.C. Duda: Reaction cell for in situ soft x-ray absorption spectroscopy and resonant inelastic x-ray scattering measurements of heterogeneous catalysis up to 1 atm and 250 °C. Review of Scientific Instruments 84 (11), 113107 (2013).

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Kuhlenbeck, H., S.K. Shaikhutdinov and H.-J. Freund: Well-Ordered Transition Metal Oxide Layers in Model Catalysis – A Series of Case Studies. Chemical Reviews 113 (6), 3986–4034 (2013).

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Kumagai, T., F. Hanke, S. Gawinkowski, J. Sharp, K. Kotsis, J. Waluk, M. Persson and L. Grill: Thermally and Vibrationally Induced Tautomerization of Single Porphycene Molecules on a Cu(110) Surface. Physical Review Letters 111 (24), 246101 (2013).

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Lapoutre, V.J.F., M. Härtelt, G. Meijer, A. Fielicke and J.M. Bakker: Communication: IR spectroscopy of neutral transition metal clusters through thermionic emission. The Journal of Chemical Physics 139 (12), 121101 (2013).

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Li, G., L. Jiang, B. Zhang, Q. Jiang, D.S. Su and G. Sun: A highly active porous Pt-PbO_x/C catalyst toward alcohol electro-oxidation in alkaline electrolyte. International Journal of Hydrogen Energy 38 (29), 12767–12773 (2013).

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Liu, W., S. Filimonov, J. Carrasco and A. Tkatchenko: Molecular switches from benzene derivatives adsorbed on metal surfaces. Nature Communications 4, 2569 (2013).

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Liu, W., V.G. Ruiz, G.-X. Zhang, B. Santra, X. Ren, M. Scheffler and A. Tkatchenko: Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response. New Journal of Physics 15 (5), 053046 (2013).

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Lorenz, H., C. Rameshan, T. Bielz, N. Memmel, W. Stadlmayr, L. Mayr, Q. Zhao, S. Soisuwan, B. Klötzer and S. Penner: From Oxide-Supported Palladium to Intermetallic Palladium Phases: Consequences for Methanol Steam Reforming. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (6), 1273–1285 (2013).

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Luigi, B., D. Rolles, L. Foucar, B. Rudek, S. Epp, M.J. Cryle, C. Bostedt, S. Schorb, J. Bozek, A. Rouzee, A. Hundertmark, T. Marchenko, M. Simon, F. Filsinger, L. Christensen, S. De, S. Trippel, J. Küpper, H. Stapelfeldt, S. Wada, K. Ueda, M. Swiggers, M. Messerschmidt, C.D. Schroeter, R. Moshammer, I. Schlichting, U. Joachim and A. Rudenko: Ultrafast Charge Rearrangement and Nuclear Dynamics upon Inner-Shell Multiple Ionization of Small Polyatomic Molecules. Physical Review Letters 110 (5), 053003 (2013).

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Lüneburg, S., M. Müller, A. Paarmann and R. Ernstorfer: Microelectrode for energy and current control of nanotip field electron emitters. Applied Physics Letters 103 (21), 213506 (2013).

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Lunkenbein, T.: Das 63. Nobelpreisträgertreffen in Lindau 2013. Chemie in unserer Zeit 47 (4), 209–209 (2013).

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Lupan, O., T. Pauporté, B. Viana, P. Aschehoug, M. Ahmadi, B. Roldan Cuenya, Y. Rudzevich, Y. Lin and L. Chow: Eu-doped ZnO nanowire arrays grown by electrodeposition. Applied Surface Science 282, 782–788 (2013).

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Maganas, D., M. Roemelt, M. Hävecker, A. Trunschke, A. Knop-Gericke, R. Schlögl and F. Neese: First principles calculations of the structure and V L-edge X-ray absorption spectra of V₂O₅ using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches. Physical Chemistry Chemical Physics 15 (19), 7260–7276 (2013).

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Majoulet, O., C. Salameh, M.E. Schuster, U.B. Demirci, Y. Sugahara, S. Bernard and P. Miele: Preparation, Characterization, and Surface Modification of Periodic Mesoporous Silicon-Aluminum-Carbon-Nitrogen Frameworks. Chemistry of Materials 25 (20), 3957–3970 (2013).

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Marichy, C., P.A. Russo, M. Latino, J.-P. Tessonnier, M.G. Willinger, N. Donato, G. Neri and N. Pinna: Tin dioxide-carbon heterostructures applied to gas sensing: Structure-dependent properties and general sensing mechanism. The Journal of Physical Chemistry C 117 (38), 19729–19739 (2013).

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Marom, N., R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition 52 (26), 6629–6632 (2013).

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Marom, N., R.A. DiStasio, V. Atalla, S.V. Levchenko, A. Reilly, J.R. Chelikowsky, L. Leiserowitz and A. Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie 125 (26), 6761–6764 (2013).

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Martynova, Y., B.H. Liu, M. McBriarty, I. Groot, M.J. Bedzyk, S.K. Shaikhutdinov and H.-J. Freund: CO oxidation over ZnO films on Pt(1 1 1) at near-atmospheric pressures. Journal of Catalysis 301, 227–232 (2013).

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Martynova, Y., S.K. Shaikhutdinov and H.-J. Freund: CO oxidation on metal-supported ultrathin oxide films: What makes them active? ChemPhysChem 5 (8), 2162–2166 (2013).

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Martynova, Y., M. Soldemo, J. Weissenrieder, S. Sachert, S. Polzin, W. Widdra, S.K. Shaikhutdinov and H.-J. Freund: CO Oxidation Over Monolayer Manganese Oxide Films on Pt(111). Catalysis Letters 143 (11), 1108–1115 (2013).

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Marx, S., D. Adu Smith, M. Abel, T. Zehentbauer, G. Meijer and G. Santambrogio: Imaging Cold Molecules on a Chip. Physical Review Letters 111 (24), 243007 (2013).

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Maurer, R.J. and K. Reuter: Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT). The Journal of Chemical Physics 139 (1), 014708 (2013).

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Menzel, D., K.H. Kim, D. Mulugeta and K. Watanabe: Case Studies in Surface Photochemistry on Metal Nanoparticles. Journal of Vacuum Science and Technology A 31 (5), 050817 (2013).

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Mercurio, G., R.J. Maurer, W. Liu, S. Hagen, F. Leyssner, P. Tegeder, J. Meyer, A. Tkatchenko, S. Soubatch, K. Reuter and F.S. Tautz: Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111). Physical Review B 88 (3), 035421 (2013).

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Merte, L.R., M. Ahmadi, F. Behafarid, L.K. Ono, E. Lira, J. Matos, L. Li, J.C. Yang and B. Roldan Cuenya: Correlating Catalytic Methanol Oxidation with the Structure and Oxidation State of Size-Selected Pt Nanoparticles. ACS Catalysis 3 (7), 1460–1468 (2013).

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Merz, S., C. Brieger, N. Vanhaecke, G. Meijer and M. Schnell: Manipulating the motion of polar molecules with microwave radiation. Molecular Physics 111 (12-13), 1855–1864 (2013).

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Moll, N., Y. Xu, O.T. Hofmann and P. Rinke: Stabilization of semiconductor surfaces through bulk dopants. New Journal of Physics 15 (8), 083009 (2013).

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Monney, C., A. Uldry, K.J. Zhou, A. Krzton-Maziopa, E. Pomjakushina, V.N. Strocov, B. Delley and T. Schmitt: Resonant inelastic x-ray scattering at the Fe L₃ edge of the one-dimensional chalcogenide BaFe₂Se₃. Physical Review B 88 (16), 165103 (2013).

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Montavon, G., M. Rupp, V. Gobre, A. Vazquez-Mayagoitia, K. Hansen, A. Tkatchenko, K.-R. Müller and O.A. von Lilienfeld: Machine Learning of Molecular Electronic Properties in Chemical Compound Space. New Journal of Physics 15 (9), 095003 (2013).

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Moser, M., C. Mondelli, A.P. Amrute, A. Tazawa, D. Teschner, M.E. Schuster, A. Klein-Hoffmann, N. López, T. Schmidt and J. Pérez-Ramírez: HCl Oxidation on IrO₂-Based Catalysts: From Fundamentals to Scale-Up. ACS Catalysis 3 (12), 2813–2822 (2013).

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Moser, M., C. Mondelli, T. Schmidt, F. Girgsdies, M.E. Schuster, R. Farra, L. Szentmiklósi, D. Teschner and J. Pérez-Ramírez: Supported CeO₂ catalysts in technical form for sustainable chlorine production. Applied Catalysis B: Environmental 132–133, 123–131 (2013).

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Mota Lima, A.B., M. Eiswirth and E.R. Gonzalez: Enhanced Efficiency of CO-Containing Hydrogen Electroxidation with Autonomous Oscillations. The Journal of Physical Chemistry C 117 (24), 12495–12501 (2013).

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Müller, M., A. Paarmann, C. Xu and R. Ernstorfer: Coherent Electron Source for Ultrafast Electron Diffraction and Imaging. EPJ Web of Conferences 41, 10007 (2013).

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Nagel, P.M., J.S. Robinson, B.D. Harteneck, T. Pfeifer, M. Abel, J.S. Prell, D.M. Neumark, R.A. Kaindl and S.R. Leone: Surface plasmon assisted electron acceleration in photoemission from gold nanopillars. Chemical Physics 414, 106–111 (2013).

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Nemec, L., V. Blum, P. Rinke and M. Scheffler: Thermodynamic equilibrium conditions of graphene films on SiC. Physical Review Letters 111 (6), 065502 (2013).

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Oberhofer, H. and K. Reuter: First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts. The Journal of Chemical Physics 139 (4), 044710 (2013).

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Ocon, J.D., T.N. Tuan, Y. Yi, R.L. de Leon, J.K. Lee and J. Lee: Ultrafast and stable hydrogen generation from sodium borohydride in methanol and water over Fe–B nanoparticles. Journal of Power Sources 243, 444–450 (2013).

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Oh, M.H., T. Yu, S.-H. Yu, B. Lim, K.-T. Ko, M.G. Willinger, D.-H. Seo, B.H. Kim, M.G. Cho, J.-H. Park, K. Kang, Y.-E. Sung, N. Pinna and T. Hyeon: Galvanic Replacement Reactions in Metal Oxide Nanocrystals. Science 340 (6135), 964–968 (2013).

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Ono, L.K., F. Behafarid and B. Roldan Cuenya: Nano-Gold Diggers: Au-Assisted SiO₂-Decomposition and Desorption in Supported Nanocatalysts. ACS Applied Nano Materials 7 (11), 10327–10334 (2013).

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Ostojic, B., P. Jensen, P. Schwerdtfeger and P. Bunker: The Predicted Spectrum and Singlet–Triplet Interaction of the Hypermetallic Molecule SrOSr. The Journal of Physical Chemistry A 117 (39), 9370–9379 (2013).

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Öström, H., M. Krenz, I. Radu, U. Bovensiepen, M. Wolf and C. Frischkorn: Coupling of spin and vibrational degrees of freedom of adsorbates at metal surfaces probed by vibrational sum-frequency generation. Applied Physics Letters 103 (13), 132403 (2013).

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Ota, A., E.L. Kunkes, J. Kröhnert, M. Schmal and M. Behrens: Particle size effect in methane activation over supported palladium nanoparticles. Applied Catalysis A 452, 203–213 (2013).

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Pacchioni, G. and H.-J. Freund: Electron Transfer at Oxide Surfaces. The MgO Paradigm: from Defects to Ultrathin Films. Chemical Reviews 113 (6), 4035–4072 (2013).

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Pacilé, D., P. Leicht, M. Papagno, P.M. Sheverdyaeva, P. Moras, C. Carbone, K. Krausert, L. Zielke, M. Fonin, Y. Dedkov, F. Mittendorfer, J. Doppler, A. Garhofer and J. Redinger: Artificially lattice-mismatched graphene/metal interface: Graphene/Ni/Ir(111). Physical Review B 87 (3), 035420 (2013).

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Pagel, K. and D.J. Harvey: Ion Mobility–Mass Spectrometry of Complex Carbohydrates: Collision Cross Sections of Sodiated N-linked Glycans. Analytical Chemistry 85 (10), 5138–5145 (2013).

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Pagel, K., E. Natan, Z. Hall, A.R. Fersht and C.V. Robinson: Intrinsically Disordered p53 and Its Complexes Populate Compact Conformations in the Gas Phase. Angewandte Chemie International Edition 52 (1), 361–365 (2013).

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