Publications

Fritz Haber Institute of the Max Planck Society

Journal Article (265)

2015

Journal Article

Nong, H.N., H.-S. Oh, T. Reier, E. Willinger, M.G. Willinger, V. Petkov, D. Teschner and P. Strasser: Oxide-Supported IrNiO_x Core-Shell Particles as Efficient, Cost-Effective, and Stable Catalysts for Electrochemical Water Splitting. Angewandte Chemie International Edition 54 (10), 2975–2979 (2015).

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Öberg, H., J. Gladh, M. Dell'Angela, T. Anniyev, M. Beye, R. Coffee, A. Föhlisch, T. Katayama, S. Kaya, J. LaRue, A. Møgelhøj, D. Nordlund, H. Ogasawara, W.F. Schlotter, J.A. Sellberg, F. Sorgenfrei, J.J. Turner, M. Wolf, W. Wurth, H. Öström, A. Nilsson, J.K. Nørskov and L.G.M. Pettersson: Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state. Surface Science 640, 80–88 (2015).

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Opitz, A.K., A. Nenning, S. Kogler, C. Rameshan, R. Rameshan, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, B. Klötzer and J. Fleig: Water splitting on model-composite La_0.6Sr_0.4FeO_3-δ (LSF) electrodes in H₂/H₂O atmosphere. ECS Transactions 68 (1), 3333–3343 (2015).

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Opitz, A.K., A. Nenning, C. Rameshan, R. Rameshan, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, J. Fleig and B. Klötzer: Enhancing Electrochemical Water-Splitting Kinetics by Polarization-Driven Formation of Near-Surface Iron(0): An In Situ XPS Study on Perovskite-Type Electrodes. Angewandte Chemie International Edition 54 (9), 2628–2635 (2015).

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Opitz, A.K., A. Nenning, C. Rameshan, R. Rameshan, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, J. Fleig and B. Klötzer: Enhancing Electrochemical Water-Splitting Kinetics by Polarization-Driven Formation of Near-Surface Iron(0): An In Situ XPS Study on Perovskite-Type Electrodes. Angewandte Chemie 127 (9), 2666–2670 (2015).

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Öström, H., H. Öberg, H. Xin, J. LaRue, M. Beye, M. Dell’Angela, J. Gladh, M.L. Ng, J.A. Sellberg, S. Kaya, G. Mercurio, D. Nordlund, M. Hantschmann, F. Hieke, D. Kühn, W.F. Schlotter, G.L. Dakovski, J.J. Turner, M.P. Minitti, A. Mitra, S.P. Moeller, A. Föhlisch, M. Wolf, W. Wurth, M. Persson, J.K. Nørskov, F. Abild-Pedersen, H. Ogasawara, L.G.M. Pettersson and A. Nilsson: Probing the transition state region in catalytic CO oxidation on Ru. Science 347 (6225), 978–982 (2015).

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Paarmann, A., I. Razdolski, A. Melnikov, S. Gewinner, W. Schöllkopf and M. Wolf: Second harmonic generation spectroscopy in the Reststrahl band of SiC using an infrared free-electron laser. Applied Physics Letters 107 (8), 081101 (2015).

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Pan, Q., X. Weng, M. Chen, L. Giordano, G. Pacchioni, C. Noguera, J. Goniakowski, S.K. Shaikhutdinov and H.-J. Freund: Enhanced CO Oxidation on Oxide/Metal Interface: From Ultra-High Vacuum to Near-Atmospheric Pressures. ChemCatChem 7 (17), 2620–2627 (2015).

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Panosetti, C., K. Krautgasser, D. Palagin, K. Reuter and R.J. Maurer: Global Materials Structure Search with Chemically Motivated Coordinates. Nano Letters 15 (12), 8044–8048 (2015).

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Papaefthimiou, V., M. Diebold, C. Ulhaq-Bouillet, W.H. Doh, R. Blume, S. Zafeiratos and E.R. Savinova: Potential-Induced Segregation Phenomena in Bimetallic PtAu Nanoparticles: An In Situ Near-Ambient-Pressure Photoelectron Spectroscopy Study. ChemElectroChem 2 (10), 1519–1526 (2015).

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Pellegrini, C., J. Flick, I.V. Tokatly, H. Appel and A. Rubio: Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters 115 (9), 093001 (2015).

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Perfetti, L., B. Sciolla, G. Biroli, C.J. van der Beek, C. Piovera, M. Wolf and T. Kampfrath: Ultrafast Dynamics of Fluctuations in High-Temperature Superconductors Far from Equilibrium. Physical Review Letters 114 (6), 067003 (2015).

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Pinheiro, M., M.J. Caldas, P. Rinke, V. Blum and M. Scheffler: Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach. Physical Review B 92 (19), 195134 (2015).

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Punckt, C., P.S. Bodega, P. Kaira and H.H. Rotermund: Wildfires in the Lab: Simple Experiment and Models for the Exploration of Excitable Dynamics. Journal of Chemical Education 92 (8), 1330–1337 (2015).

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Puppin, M., Y. Deng, O. Prochnow, J. Ahrens, T. Binhammer, U. Morgner, M. Krenz, M. Wolf and R. Ernstorfer: 500 kHz OPCPA delivering tunable sub-20 fs pulses with 15 W average power based on an all-ytterbium laser. Optics Express 23 (2), 1491–1497 (2015).

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Qi, W., W. Liu, X. Guo, R. Schlögl and D.S. Su: Oxidative Dehydrogenation on Nanocarbon: Intrinsic Catalytic Activity and Structure–Function Relationships. Angewandte Chemie International Edition 54 (46), 13682–13685 (2015).

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Qi, W., W. Liu, X. Guo, R. Schlögl and D.S. Su: Oxidative Dehydrogenation on Nanocarbon: Intrinsic Catalytic Activity and Structure–Function Relationships. Angewandte Chemie 127 (46), 13886–13889 (2015).

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Qiu, H., V. Staemmler, H. Kuhlenbeck, E. Bauer and H.-J. Freund: Weak thermal reduction of biphase Fe₂O₃(0001) films grown on Pt(111): Sub-surface Fe²⁺ formation. Surface Science 641, 30–36 (2015).

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Rameshan, R., L. Mayr, B. Klötzer, D. Eder, A. Knop-Gericke, M. Hävecker, R. Blume, R. Schlögl, D. Zemlyanov and S. Penner: Near-Ambient-Pressure X-ray Photoelectron Spectroscopy Study of Methane-Induced Carbon Deposition on Clean and Copper-Modified Polycrystalline Nickel Materials. The Journal of Physical Chemistry C 119 (48), 26948–26958 (2015).

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Razdolski, I., R.R. Subkhangulov, D.G. Gheorghe, F. Bern, I. Vrejoiu, A.V. Kimel, A. Kirilyuk, M. Ziese and T. Rasing: Laser-induced magnetisation dynamics in La_0.7Sr_0.3MnO₃/SrRuO₃ superlattices. Physica Status Solidi RRL 9 (10), 583–588 (2015).

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Reiche, S., N. Kowalew and R. Schlögl: Influence of Synthesis pH and Oxidative Strength of the Catalyzing Acid on the Morphology and Chemical Structure of Hydrothermal Carbon. ChemPhysChem 16 (3), 579–587 (2015).

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Reier, T., Z. Pawolek, S. Cherevko, M. Bruns, T. Jones, D. Teschner, S. Selve, A. Bergmann, H.N. Nong, R. Schlögl, K.J.J. Mayrhofer and P. Strasser: Molecular Insight in Structure and Activity of Highly Efficient, Low-Ir Ir–Ni Oxide Catalysts for Electrochemical Water Splitting (OER). Journal of the American Chemical Society 137 (40), 133031–13040 (2015).

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Reilly, A. and A. Tkatchenko: van der Waals dispersion interactions in molecular materials: beyond pairwise additivity. Chemical Science (6), 3289–3301 (2015).

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Ren, X., N. Marom, F. Caruso, M. Scheffler and P. Rinke: Beyond the GW approximation: A second-order screened exchange correction. Physical Review B 92 (8), 081104(R) (2015).

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Richter, N., F. Stavale, S.V. Levchenko, N. Nilius, H.-J. Freund and M. Scheffler: Defect complexes in Li-doped MgO. Physical Review B 91 (19), 195305 (2015).

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Ringleb, F., Y. Fujimori, M.A. Brown, W. Kaden, F. Calaza, H. Kuhlenbeck, M. Sterrer and H.-J. Freund: The role of exposed silver in CO oxidation over MgO(0 0 1)/Ag(0 0 1) thin films. Catalysis Today 240, Pt. B, 206–213 (2015).

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Rittmeyer, S.P., J. Meyer, J.I. Juaristi and K. Reuter: Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation. Physical Review Letters 115 (4), 046102 (2015).

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Roldan Cuenya, B. and F. Behafarid: Nanocatalysis: size- and shape-dependent chemisorption and catalytic reactivity. Surface Science Reports 70 (2), 135–187 (2015).

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Rosandi, Y., F. Cheenicode Kabeer, Y. Cherednikov, E.S. Zijlstra, M.E. Garcia, N.A. Inogamov and H.M. Urbassek: Melting of Al Induced by Laser Excitation of 2p Holes. Materials Research Letters 3 (3), 149–155 (2015).

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Rupp, M.: Special issue on machine learning and quantum mechanics. International Journal of Quantum Chemistry 115 (16), 1003–1004 (2015).

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Rupp, M.: Machine learning for quantum mechanics in a nutshell. International Journal of Quantum Chemistry 115 (16), 1058–1073 (2015).

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Rupp, M., R. Ramakrishnan and O.A. von Lilienfeld: Machine Learning for Quantum Mechanical Properties of Atoms in Molecules. The Journal of Physical Chemistry Letters 6 (16), 3309–3313 (2015).

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Ruzsinszky, A., I.Y. Zhang and M. Scheffler: Insight into organic reactions from the direct random phase approximation and its corrections. The Journal of Chemical Physics 143 (14), 144115 (2015).

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Sajadi, M., M. Wolf and T. Kampfrath: Terahertz-field-induced optical birefringence in common window and substrate materials. Optics Express 23 (22), 091118 (2015).

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Säkkinen, N., Y. Peng, H. Appel and R. van Leeuwen: Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer. The Journal of Chemical Physics 143 (23), 234101 (2015).

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Säkkinen, N., Y. Peng, H. Appel and R. van Leeuwen: Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer. The Journal of Chemical Physics 143 (23), 234102 (2015).

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Santamaría, C.A.A., V. Huck, S. Posch, A.K. Bronowska, S. Grässle, M.A. Brehm, T. Obser, R. Schneppenheim, P. Hinterdorfer, S.W. Schneider, C. Baldauf and F. Gräter: Mechanosensitive Von Willebrand Factor Protein-Protein Interactions Regulate Hemostasis. Biophysical Journal 108 (2, Suppl. 1), 505A–505A (2015).

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Santamaria, L., V.D. Sarno, I. Ricciardi, M.D. Rosa, S. Mosca, G. Santambrogio, P. Maddaloni and P.D. Natale: Low-temperature spectroscopy of the ¹²C₂H₂ (υ₁ + υ₃) band in a helium buffer gas. Astrophysical Journal 801 (1), 50 (2015).

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Santambrogio, G.: Trapping molecules on chips. EPJ Techniques and Instrumentation 2, 14 (2015).

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Sauer, J. and H.-J. Freund: Models in Catalysis. Catalysis Letters 145 (1), 109–125 (2015).

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Schauermann, S. and H.-J. Freund: Model Approach in Heterogeneous Catalysis: Kinetics and Thermodynamics of Surface Reactions. Accounts of Chemical Research 48 (10), 2775–2782 (2015).

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Schewe, H.C., Q. Ma, N. Vanhaecke, X. Wang, J. Kłos, M.H. Alexander, S.Y.T. van de Meerakker, G. Meijer, A. van der Avoird and P.J. Dagdigian: Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment. The Journal of Chemical Physics 142 (20), 204310 (2015).

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Schieder, M., T. Lunkenbein, C. Bojer, M. Dulle, J.vom Stein, G. Auffermann, T. Löbling, J. Schöbel, H. Schmalz and J. Breu: Selective Template Removal by Thermal Depolymerization to Obtain Mesostructured Molybdenum Oxycarbide. Zeitschrift für anorganische und allgemeine Chemie 641 (10), 1829–1834 (2015).

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Schlögl, R.: Heterogeneous Catalysis. Angewandte Chemie International Edition 54 (11), 3465–3520 (2015).

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Schlögl, R.: Heterogene Katalysatoren – fundamental betrachtet. Angewandte Chemie 127 (11), 3531–3589 (2015).

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Schlögl, R.: The Revolution Continues: Energiewende 2.0. Angewandte Chemie International Edition 54 (15), 4436–4439 (2015).

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Schlögl, R.: Energiewende 2.0. Angewandte Chemie 127 (15), 4512–4516 (2015).

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Schlögl, R.: Systemic aspects of the transition to sustainable energy. EPJ Web of Conferences 98, 04001 (2015).

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Schmidt, B. and B. Friedrich: Supersymmetry and eigensurface topology of the spherical quantum pendulum. Physical Review A 91 (2), 022111 (2015).

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Schubert, F., K. Pagel, M. Rossi, S. Warnke, M. Salwiczek, B. Koksch, G.von Helden, V. Blum, C. Baldauf and M. Scheffler: Native like helices in a specially designed β peptide in the gas phase. Physical Chemistry Chemical Physics 17 (7), 5376–5385 (2015).

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