Zeitschriftenartikel (316)
2013
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Gobre, V. und A. Tkatchenko: Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications 4, 2341 (2013).
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Goldsmith, C.F., und : Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n-propyl radical oxidation. Proceedings of the Combustion Institute 34 (1), 177–185 (2013).
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Gonchar, A. und T. Risse: Characterisation of paramagnetic Mo impurities on MgO(100) single-crystalline films grown on Mo(100). Molecular Physics 111 (18-19), 2708–2716 (2013).
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, , , , , , , , Y. Deng, und : Observation of CEP effect via filamentation in transparent solids. Optics Express 21 (20), 24120–24128 (2013).
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, , , , , K. Reuter und : Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie 125 (42), 11213–11216 (2013).
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, , , , , K. Reuter und : Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie International Edition 52 (42), 11007–11010 (2013).
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Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on adsorbate diffusion and dehydrogenation at vanadium oxide substrate. The Journal of Chemical Physics 138 (19), 194701 (2013).
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Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reactant adsorption at vanadium oxide substrate. The Journal of Chemical Physics 138 (9), 094704 (2013).
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Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate. The Journal of Chemical Physics 139 (24), 244701 (2013).
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, , , , B. Johnson, , , , , , , und : A One-Pot Approach to Mesoporous Metal Oxide Ultrathin Film Electrodes Bearing One Metal Nanoparticle per Pore with Enhanced Electrocatalytic Properties. Chemistry of Materials 25 (23), 4645–4652 (2013).
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Guimond, S., D. Göbke, J.M. Sturm, Y. Romanyshyn, H. Kuhlenbeck, M. Cavalleri und H.-J. Freund: Well-Ordered Molybdenum Oxide Layers on Au(111): Preparation and Properties. The Journal of Physical Chemistry C 117 (17), 8746–8757 (2013).
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, , , und A.M. Bradshaw: Nuclear fusion and renewable energy forms: Are they compatible? Fusion Engineering and Design 88 (6-8), 657–660 (2013).
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Hansen, K., , , , , M. Scheffler, , A. Tkatchenko und : Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies. Journal of Chemical Theory and Computation 9 (8), 3404–3419 (2013).
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Harding, D., C. Kerpal, G. Meijer und A. Fielicke: Unusual bonding in platinum carbido clusters. The Journal of Physical Chemistry Letters 4 (6), 892–896 (2013).
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Heine, C., F. Girgsdies, A. Trunschke, R. Schlögl und M. Eichelbaum: The model oxidation catalyst α-V2O5: insights from contactless in situ microwave permittivity and conductivity measurements. Applied Physics A: Materials Science and Processing 112 (2), 289–296 (2013).
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Heine, C., M. Hävecker, , A. Trunschke, R. Schlögl und M. Eichelbaum: Work Function, Band Bending and Microwave Conductivity Studies on the Selective Alkane Oxidation Catalyst MoVTeNb Oxide (Orthorhombic M1 Phase) under Operation Conditions. The Journal of Physical Chemistry C 117 (51), 26988–26997 (2013).
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Heine, N., M.R. Fagiani, M. Rossi, T. Wende, , V. Blum und K.R. Asmis: Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer. Journal of the American Chemical Society 135 (22), 8266–8273 (2013).
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Heyde, M., G.H. Simon und L. Lichtenstein: Resolving oxide surfaces – From point and line defects to complex network structures. Physica Status Solidi B-Basic Solid State Physics 250 (5), 895–921 (2013).
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Hofmann, O.T., V. Atalla, , P. Rinke und M. Scheffler: Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory. New Journal of Physics 15 (12), 123028 (2013).
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Hofmann, O.T., J.-C. Deinert, Y. Xu, P. Rinke, J. Stähler, M. Wolf und M. Scheffler: Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(10¯10). The Journal of Chemical Physics 139 (17), 174701 (2013).
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, H. Appel, und : Determining Excitation-Energy Transfer Times and Mechanisms from Stochastic Time-Dependent Density Functional Theory. The Journal of Physical Chemistry B 117 (46), 14408–14419 (2013).
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, R.K. Campen, , , und : Mechanism of vibrational energy dissipation of free OH groups at the air-water interface. Proceedings of the National Academy of Sciences of the United States of America 110 (47), 18780–18785 (2013).
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, , A.S. Mikhailov und : Coarse-grain simulations of active molecular machines in lipid bilayers. The Journal of Chemical Physics 138 (19), 195101 (2013).
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Huang, X., , L. Shao, M.G. Willinger, und : Polarity-Free Epitaxial Growth of Heterostructured ZnO/ZnS Core/Shell Nanobelts. The Journal of Physical Chemistry Letters 4 (5), 740–744 (2013).
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, , , , , , M. Hävecker, D. Teschner, A. Knop-Gericke, , , , und : Reactivity of carbon in lithium-oxygen battery positive electrodes. Nano Letters 13 (10), 4697–4701 (2013).
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, , und K. Reuter: Computational screening study towards redox-active metal-organic frameworks. New Journal of Physics 15 (11), 115004 (2013).
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Jentoft, F.C., J. Kröhnert, und : Quantitative Analysis of IR Intensities of Alkanes Adsorbed on Solid Acid Catalysts. The Journal of Physical Chemistry C 117 (11), 5873–5881 (2013).
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Jiang, H., R. Gomez Abal, X. Li, , und M. Scheffler: FHI-gap: A GW code based on the all-electron augmented plane wave method. Computer Physics Communications 184 (2), 348–366 (2013).
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Johnson, B., F. Girgsdies, G. Weinberg, D. Rosenthal, A. Knop-Gericke, R. Schlögl, und : Suitability of Simplified (Ir,Ti)Ox Films for Characterization during Electrocatalytic Oxygen Evolution Reaction. The Journal of Physical Chemistry C 117 (48), 25443–25450 (2013).
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, , , , M. Hävecker, A. Knop-Gericke, R. Schlögl und : In situ XPS study of self-sustained oscillations in catalytic oxidation of propane over nickel. Surface Science 609, 113–118 (2013).
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Kaluza, P.F.: Computation with phase oscillators: An oscillatory perceptron model. Neurocomputing 116, 127–131 (2013).
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Kampfrath, T., , , , , S.F. Maehrlein, , , , , M. Wolf, , und : Terahertz spin current pulses controlled by magnetic heterostructures. Nature Nanotechnology 8 (4), 256–260 (2013).
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Kampfrath, T., und : Resonant and nonresonant control over matter and light by intense terahertz transients. Nature Photonics 7 (9), 680–690 (2013).
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Kandemir, T., F. Girgsdies, , , I. Kasatkin, E.L. Kunkes, G. Wowsnick, , R. Schlögl und M. Behrens: In Situ Study of Catalytic Processes: Neutron Diffraction of a Methanol Synthesis Catalyst at Industrially Relevant Pressure. Angewandte Chemie International Edition 52 (19), 5166–5170 (2013).
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Kandemir, T., F. Girgsdies, , , I. Kasatkin, E.L. Kunkes, G. Wowsnick, , R. Schlögl und M. Behrens: In-situ-Untersuchung von katalytischen Prozessen bei industriell relevanten Drücken: Neutronenbeugung an einem Methanolsynthesekatalysator. Angewandte Chemie 125 (19), 5271–5276 (2013).
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Kandemir, T., M.E. Schuster, , M. Behrens und R. Schlögl: The Haber–Bosch Process Revisited: On the Real Structure and Stability of “Ammonia Iron” under Working Condition. Angewandte Chemie International Edition 52 (48), 12723–12726 (2013).
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Kandemir, T., M.E. Schuster, , M. Behrens und R. Schlögl: Über die Realstruktur von “Ammoniakeisen” und ihre Stabilität während des Haber-Bosch-Verfahrens. Angewandte Chemie 125 (48), 12955–12959 (2013).
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Karslıoğlu, O., S. Xin, H. Kuhlenbeck und H.-J. Freund: Mo+TiO2(110) Mixed Oxide Layer: Structure and Reactivity. Topics in Catalysis 56 (15-17), 1389–1403 (2013).
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, , , , N. Mulakaluri, , M. Scheffler, , und : X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe3O4(001) Surface at Near-Ambient Conditions. The Journal of Physical Chemistry C 117 (6), 2719–2733 (2013).
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Kerpal, C., D.J. Harding, , G. Meijer, und A. Fielicke: Structures of Platinum Oxide Clusters in the Gas Phase. The Journal of Physical Chemistry A 117 (6), 1233–1239 (2013).
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Kerpal, C., D.J. Harding, , G. Meijer und A. Fielicke: N2 Activation by Neutral Ruthenium Clusters. The Journal of Physical Chemistry C 117 (23), 12153–12158 (2013).
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Kerpal, C., D.J. Harding, und A. Fielicke: Small Platinum Cluster Hydrides in the Gas Phase. The Journal of Physical Chemistry A 117 (34), 8230–8237 (2013).
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Khavryuchenko, O., B. Frank, A. Trunschke, K. Hermann und R. Schlögl: Quantum-chemical investigation of hydrocarbon oxidative dehydrogenation over spin-active carbon catalyst clusters. The Journal of Physical Chemistry C 117 (12), 6225–6234 (2013).
Zeitschriftenartikel
, , , Z.-J. Wang, , , M.G. Willinger, R. Schlögl und : Observing Graphene Grow: Catalyst-Graphene Interactions during Scalable Graphene Growth on Polycrystalline Copper. Nano Letters 13 (10), 4769–4778 (2013).
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, , A.L. Walter, , , und : Visualizing Atomic-Scale Negative Differential Resistance in Bilayer Graphene. Physical Review Letters 110 (3), 036804 (2013).
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, , , , , A.L. Walter, , , , , und : Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism. Physical Chemistry Chemical Physics 15 (43), 19019–19023 (2013).
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Kirste, M., H. Haak, G. Meijer und S.Y.T.van de Meerakker: A compact hexapole state-selector for NO radicals. Review of Scientific Instruments 84 (7), 073113 (2013).
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Korup, O., C.F. Goldsmith, G. Weinberg, M. Geske, T. Kandemir, R. Schlögl und R. Horn: Catalytic partial oxidation of methane on platinum investigated by spatial reactor profiles, spatially resolved spectroscopy, and microkinetic modeling. Journal of Catalysis 297, 1–16 (2013).