Zeitschriftenartikel (265)
2015
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Schubert, F., M. Rossi, C. Baldauf, K. Pagel, S. Warnke, G.von Helden, F. Filsinger, P. Kupser, G. Meijer, , , M. Scheffler und V. Blum: Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H+ vs. Ac-Lys-Ala19 + H+ and the current reach of DFT. Physical Chemistry Chemical Physics 17 (11), 7373–7385 (2015).
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Schumann, J., M. Eichelbaum, T. Lunkenbein, N. Thomas, M.C. Alvarez Galvan, R. Schlögl und M. Behrens: Promoting Strong Metal Support Interaction: Doping ZnO for Enhanced Activity of Cu/ZnO:M (M = Al, Ga, Mg) Catalysts. ACS Catalysis 5 (6), 3260–3270 (2015).
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Schwach, P., N. Hamilton, L. Thum, T. Lunkenbein, R. Schlögl und A. Trunschke: Structure sensitivity of the oxidative activation of methane over MgO model catalysts: I. Kinetic study. Journal of Catalysis 329, 560–573 (2015).
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Schwach, P., N. Hamilton, L. Thum, T. Lunkenbein, R. Schlögl und A. Trunschke: Structure sensitivity of the oxidative activation of methane over MgO model catalysts: II. Nature of active sites and reaction mechanism. Journal of Catalysis 329, 574–587 (2015).
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, , , , M.G. Willinger, , und : An Experimental and Theoretical Approach to Understanding the Surface Properties of One-Dimensional TiO2 Nanomaterials. The Journal of Physical Chemistry C 119 (34), 19729–19742 (2015).
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, H. Shang, , , , , , C. Carbogno, M. Scheffler, P. Rinke und : Evidence for photogenerated intermediate hole polarons in ZnO. Nature Communications 6 (4), 6901 (2015).
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Shaikhutdinov, S.K. und H.-J. Freund: Ultra-thin silicate films on metals. Journal of Physics: Condensed Matter 27 (44), 443001 (2015).
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Sharma, K. und B. Friedrich: Directional properties of polar paramagnetic molecules subject to congruent electric, magnetic and optical fields. New Journal of Physics 17 (4), 045017 (2015).
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, O.T. Hofmann, P. Rinke, M. Scheffler, und : Multiscale approach to the electronic structure of doped semiconductor surfaces. Physical Review B 91 (7), 075311 (2015).
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, M. Rupp, und : Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives. International Journal of Quantum Chemistry 115 (16), 1102–1114 (2015).
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, , , , , T. Kandemir, , , , , und : Nitrogen-Doping in ZnO via Combustion Synthesis? Chemistry of Materials 27 (12), 4188–4195 (2015).
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, D. Vogel, R. Schlögl, und : Spatially coupled catalytic ignition of CO oxidation on Pt: mesoscopic versus nano-scale. Ultramicroscopy 159, Pt. 2, 178–183 (2015).
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Stähler, J., J.-C. Deinert, D. Wegkamp, S. Hagen und M. Wolf: Real-Time Measurement of the Vertical Binding Energy during the Birth of a Solvated Electron. Journal of the American Chemical Society 137 (10), 3520–3524 (2015).
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Stiehler, C., F. Calaza, W.-D. Schneider, N. Nilius und H.-J. Freund: Molecular Adsorption Changes the Quantum Structure of Oxide-Supported Gold Nanoparticles: Chemisorption versus Physisorption. Physical Review Letters 115 (3), 036804 (2015).
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, , und K. Pagel: Collision cross sections of high-mannose N-glycans in commonly observed adduct states – identification of gas-phase conformers unique to [M − H]- ions. Analyst 140 (20), 6799–6803 (2015).
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Stuckenholz, S., C. Büchner, M. Heyde und H.-J. Freund: MgO on Mo(001): Local Work Function Measurements above Pristine Terrace and Line Defect Sites. The Journal of Physical Chemistry C 119 (22), 12283–12290 (2015).
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, M. Behrens, E.L. Kunkes, N. Thomas, S. Zander, A. Tarasov, J. Schumann, E. Frei, , , und R. Schlögl: The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts. ChemCatChem 7 (7), 1105–1111 (2015).
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, M. Behrens, E.L. Kunkes, N. Thomas, S. Zander, A. Tarasov, J. Schumann, E. Frei, , , und R. Schlögl: Back Cover: The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts. ChemCatChem 7 (7), 1232–1232 (2015).
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Su, D.S., und R. Schlögl: Electron Microscopy of Solid Catalysts—Transforming from a Challenge to a Toolbox. Chemical Reviews 115 (8), 2818–2882 (2015).
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, L. Jiang, , N. Heine, , T. Wende, K.R. Asmis, und : Microhydrated dihydrogen phosphate clusters probed by gas phase vibrational spectroscopy and first principles calculations. Physical Chemistry Chemical Physics 17 (39), 25714–25724 (2015).
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Supady, A., V. Blum und C. Baldauf: First-Principles Molecular Structure Search with a Genetic Algorithm. Journal of Chemical Information and Modeling 55 (11), 2338–2348 (2015).
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Tkatchenko, A.: Current Understanding of Van der Waals Effects in Realistic Materials. Advanced Functional Materials 25 (13), 2054–2061 (2015).
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Tong, Y., , , und : Photocatalytic oxidation of the organic monolayers on TiO2 surface investigated by in-situ sum frequency generation spectroscopy. APL Materials 3 (10), 104402 (2015).
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Tong, Y., , H. Kirsch, M. Wolf, und R.K. Campen: Optically probing Al-O and O-H vibrations to characterize water adsorption and surface reconstruction on α-alumina: An experimental and theoretical study. The Journal of Chemical Physics 142 (5), 054704 (2015).
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, , , S. Warnke, G.von Helden, und K. Pagel: Online monitoring the isomerization of an azobenzene-based dendritic bolaamphiphile using ion mobility-mass spectrometry. Chemical Communications 51 (42), 8801–8804 (2015).
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, F. Caruso, , X. Ren, M. Scheffler, , , , , , , , , und P. Rinke: GW100: Benchmarking G0W0 for Molecular Systems. Journal of Chemical Theory and Computation 11 (12), 5665–5687 (2015).
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Velasco Vélez, J., V. Pfeifer, , , , , E. Stotz, G. Weinberg, , R. Schlögl und A. Knop-Gericke: Photoelectron Spectroscopy at the Graphene–Liquid Interface Reveals the Electronic Structure of an Electrodeposited Cobalt/Graphene Electrocatalyst. Angewandte Chemie International Edition 54 (48), 14554–14558 (2015).
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Velasco Vélez, J., V. Pfeifer, M. Hävecker, , , , E. Stotz, G. Weinberg, , R. Schlögl und A. Knop-Gericke: Photoelektronenspektroskopie an der Graphen-Flüssigelektrolyt-Grenzfläche zur Bestimmung der elektronischen Struktur eines elektrochemisch abgeschiedenen Cobalt/Graphen-Elektrokatalysators. Angewandte Chemie 127 (48), 14762–14766 (2015).
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Waldecker, L., R. Bertoni und R. Ernstorfer: Compact femtosecond electron diffractometer with 100 keV electron bunches approaching the single-electron pulse duration limit. Journal of Applied Physics 117 (4), 044903 (2015).
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Waldecker, L., , , R. Bertoni, , , , R. Ernstorfer und : Time-domain separation of optical properties from structural transitions in resonantly bonded materials. Nature Materials 14 (10), 991–995 (2015).
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und K. Reuter: Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111). The Journal of Chemical Physics 143 (20), 204702 (2015).
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, , , , , , , , , , K. Reuter und : Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs. Physical Chemistry Chemical Physics 17 (22), 14582–14587 (2015).
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Wang, Z.-J., G. Weinberg, Q. Zhang, T. Lunkenbein, A. Klein-Hoffmann, , , , , R. Schlögl und M.G. Willinger: Direct Observation of Graphene Growth and Associated Copper Substrate Dynamics by in Situ Scanning Electron Microscopy. ACS Nano 9 (2), 1506–1519 (2015).
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Warnke, S., G.von Helden und K. Pagel: Analyzing the higher order structure of proteins with conformer-selective ultraviolet photodissociation. Proteomics 15 (16), 2804–2812 (2015).
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Warnke, S., J. Seo, , , , , , S. Gewinner, W. Schöllkopf, und G.von Helden: Protomers of Benzocaine: Solvent and Permittivity Dependence. Journal of the American Chemical Society 137 (12), 4236–4242 (2015).
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, , , , R. Blume, , R. Schlögl und : Long-Term Passivation of Strongly Interacting Metals with Single-Layer Graphene. Journal of the American Chemical Society 137 (45), 14358–14366 (2015).
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Wegkamp, D. und J. Stähler: Ultrafast dynamics during the photoinduced phase transition in VO2. Progress in Surface Science 90 (4), 464–502 (2015).
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, , , , R. Schlögl und : Acid Properties of Nanocarbons and Their Application in Oxidative Dehydrogenation. ACS Catalysis 5 (6), 3600–3608 (2015).
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, , , , , , , K. Reuter und : Coverage-driven dissociation of azobenzene on Cu(111): a route towards defined surface functionalization. Chemical Communications 51 (83), 15324–15327 (2015).
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Willinger, E., , , , und : Origin of “memory glass” effect in pressure-amorphized rare-earth molybdate single crystals. Journal of Solid State Chemistry 222, 1–6 (2015).
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Willinger, M.G., , , , und : Structural evolution of aragonite superstructures obtained in the presence of the siderophore deferoxamine. CrystEngComm 17 (21), 3927–3935 (2015).
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, , R. Schlögl und D.S. Su: Carbon nanotubes oxidized by a green method as efficient metal-free catalysts for nitroarene reduction. Physical Chemistry Chemical Physics 17 (3), 1567–1571 (2015).
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, , , , X. Huang und : Large-Scale Growth of Two-Dimensional SnS2 Crystals Driven by Screw Dislocations and Application to Photodetectors. Advanced Functional Materials 25 (27), 4255–4261 (2015).
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, , , , , , B.S. Zhang, D.S. Su, und : Bio-inspired Construction of Advanced Fuel Cell Cathode with Pt Anchored in Ordered Hybrid Polymer Matrix. Scientific Reports 5, 16100 (2015).
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und D.S. Su: Ionic Liquid Based Approaches to Carbon Materials Synthesis. European Journal of Inorganic Chemistry 2015 (7), 1137–1147 (2015).
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, , , , , , , , , , , , , , , , , M. Wolf, , , , , , und : Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations. Physical Review Letters 114 (15), 156101 (2015).
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, , , , und D.S. Su: Secondary batteries with multivalent ions for energy storage. Scientific Reports 5, 14120 (2015).