Publications

Fritz Haber Institute of the Max Planck Society

Journal Article (301)

2014

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Huang, X., M.G. Willinger, H. Fan, Z. Xie, L. Wang , A. Klein-Hoffmann, F. Girgsdies, C.-S. Lee and X.-M. Meng: Single crystalline wurtzite ZnO/zinc blende ZnS coaxial heterojunctions and hollow zinc blende ZnS nanotubes: synthesis, structural characterization and optical properties. Nanoscale 6 (15), 8787–8795 (2014).

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Huck, J.M., L.-C. Lin, A.H. Berger, M.N. Shahrak, R.L. Martin, A.S. Bhown, M. Haranczyk, K. Reuter and B. Smit: Evaluating different classes of porous materials for carbon capture. Energy & Environmental Science 7 (12), 4132–4146 (2014).

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Ilchen, M., L. Glaser, F. Scholz, P. Walter, S. Deinert, A. Rothkirch, J. Seltmann, J. Viefhaus, P. Decleva, B. Langer, A. Knie, A. Ehresmann, O.M. Al-Dossary, M. Braune, G. Hartmann, A. Meißner, L. Tribedi, M. AlKhaldi and U. Becker: Angular Momentum Sensitive Two-Center Interference. Physical Review Letters 112 (2), 023001 (2014).

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Indra, A., M. Greiner, A. Knop-Gericke, R. Schlögl, D. Avnir and M. Driess: High Catalytic Synergism between the Components of the Rhenium Complex@Silver Hybrid Material in Alkene Epoxidations. ChemCatChem 6 (7), 1935–1939 (2014).

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Jia, Z., Z. Zeng, R. Li, Z. Xu and Y. Deng: Extremely asymmetric electron localization in H₂⁺ controlled with a THz field. Physical Review A 89 (2), 023419 (2014).

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Jiang, L., S.-T. Sun, N. Heine, J.-W. Liu, T.I. Yacovitch, T. Wende, Z.-F. Liu, D.M. Neumark and K.R. Asmis: Large amplitude motion in cold monohydrated dihydrogen phosphate anions H₂PO₄^-(H₂O): infrared photodissociation spectroscopy combined with ab initio molecular dynamics simulations. Physical Chemistry Chemical Physics 16 (4), 1314–1318 (2014).

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Jones, T.E., T. Rocha, A. Knop-Gericke, C. Stampfl, R. Schlögl and S. Piccinin: Adsorbate induced vacancy formation on silver surfaces. Physical Chemistry Chemical Physics 16 (19), 9002–9014 (2014).

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Kaden, W., C. Büchner, L. Lichtenstein, S. Stuckenholz, F. Ringleb, M. Heyde, M. Sterrer, H.-J. Freund, L. Giordano, G. Pacchioni, C.J. Nelin and P.S. Bagus: Understanding surface core-level shifts using the Auger parameter: A study of Pd atoms adsorbed on ultrathin SiO₂ films. Physical Review B 89 (11), 115436 (2014).

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Kaden, W., C. Büchner, L. Lichtenstein, S. Stuckenholz, F. Ringleb, M. Heyde, M. Sterrer, H.-J. Freund, L. Giordano, G. Pacchioni, C.J. Nelin and P.S. Bagus: Exploring the binding mechanisms and physical properties of Pd and Au atoms over thin-film SiO₂/Ru(0001) supports. Abstracts of Papers of the American Chemical Society 247, Phys 413 (2014).

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Kaichev, V.V., G.Y. Popova, Y.A. Chesalov, A.A. Saraev, D.Y. Zemlyanov, S.A. Beloshapkin, A. Knop-Gericke, R. Schlögl, T.V. Andrushkevich and V.I. Bukhtiyarov: Selective oxidation of methanol to form dimethoxymethane and methyl formate over a monolayer V₂O₅ /TiO₂ catalyst. Journal of Catalysis 311, 59–70 (2014).

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Kaluza, P. and A.S. Mikhailov: Autonomous learning by simple dynamical systems with delayed feedback. Physical Review E 90 (3), 090901(R) (2014).

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Kamaraju, N., A. Rubano, L. Jian, S. Saha, T. Venkatesan, J. Nötzold, R.K. Campen, M. Wolf and T. Kampfrath: Subcycle control of terahertz waveform polarization using all-optically induced transient metamaterials. Light: Science & Applications 3, e155 (2014).

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Kandemir, T., I. Kasatkin, F. Girgsdies, S. Zander, S. Kühl, M. Tovar, R. Schlögl and M. Behrens: Microstructural and Defect Analysis of Metal Nanoparticles in Functional Catalysts by Diffraction and Electron Microscopy: The Cu/ZnO Catalyst for Methanol Synthesis. Topics in Catalysis 57 (1-4), 188–206 (2014).

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Karpinsky, D.V., I.O. Troyanchuk, V. Sikolenko, V. Efimov, E. Efimova, M.G. Willinger, A.N. Salak and A.L. Kholkin: Phase coexistence in Bi_1-xPr _xFeO₃ ceramics. Journal of Materials Science 49 (20), 6937–6943 (2014).

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Karpinsky, D.V., I.O. Troyanchuk, V.V. Sikolenko, V. Efimov, E. Efimova, M.V. Silibin, G.M. Chobot and E. Willinger: Temperature evolution of the crystal structure of Bi_{1 − x} Pr _x FeO₃ solid solutions. Physics of the Solid State 56 (11), 2263–2268 (2014).

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Kawai, S., M. Koch, E. Gnecco, A. Sadeghi, R. Pawlak, T. Glatzel, J. Schwarz, S. Goedecker, S. Hecht, A. Baratoff, L. Grill and E. Meyer: Quantifying the atomic-level mechanics of single long physisorbed molecular chains. Proceedings of the National Academy of Sciences of the USA 111 (11), 3968–3972 (2014).

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Kidambi, P.R., R. Blume, J. Kling, J.B. Wagner, C. Baehtz, R.S. Weatherup, R. Schlögl, B.C. Bayer and S. Hofmann: In Situ Observations during Chemical Vapor Deposition of Hexagonal Boron Nitride on Polycrystalline Copper. Chemistry of Materials 26 (22), 6380–6392 (2014).

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Kim, J.-Y., D.-S. Ahn, S.-W. Park and S. Lee: Gas phase hydration of amino acids and dipeptides: Effects on the relative stability of zwitterion vs. canonical conformers. RSC Advances 4 (31), 16352–16361 (2014).

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Kirsch, H., J. Wirth, Y. Tong, M. Wolf, P. Saalfrank and R.K. Campen: Experimental Characterization of Unimolecular Water Dissociative Adsorption on α-Alumina. The Journal of Physical Chemistry C 118 (25), 13623–13630 (2014).

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Kirsch, H., X. Zhao, Z. Ren, S.V. Levchenko, M. Wolf and R.K. Campen: Controlling CH₂ dissociation on Ru(0001) through surface site blocking by adsorbed hydrogen. Journal of Catalysis 320, 89–96 (2014).

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Klingan, K., F. Ringleb, I. Zaharieva, J. Heidkamp, P. Chernev, D. Gonzalez-Flores, M. Risch, A. Fischer and H. Dau: Water Oxidation by Amorphous Cobalt-Based Oxides: Volume Activity and Proton Transfer to Electrolyte Bases. ChemSusChem: chemistry & sustainability, energy & materials 7 (5), 1301–1310 (2014).

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Klokishner, S., O. Reu, G. Tzolova-Müller, R. Schlögl and A. Trunschke: Apparent Absorption Spectra of Silica Supported Vanadium–Titanium Oxide Catalysts: Experimental Study and Modeling. The Journal of Physical Chemistry C 118 (26), 14677–14691 (2014).

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Klues, M., K. Hermann and G. Witte: Analysis of the near-edge X-ray-absorption fine-structure of anthracene: A combined theoretical and experimental study. The Journal of Chemical Physics 140 (1), 014302 (2014).

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Klyushin, A., T. Rocha, M. Hävecker, A. Knop-Gericke and R. Schlögl: A Near ambient pressure XPS study of Au oxidation. Physical Chemistry Chemical Physics 16 (17), 7881–7886 (2014).

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Koch, M., M. Gille, A. Viertel, S. Hecht and L. Grill: Substrate-controlled linking of molecular building blocks: Au(111) vs. Cu(111). Surface Science 627, 70–74 (2014).

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Kogler, M., E.-M. Köck, L. Perfler, T. Bielz, M. Stöger-Pollach, W. Hetaba, M.G. Willinger, X. Huang, M.E. Schuster, B. Klötzer and S. Penner: Methane Decomposition and Carbon Growth on Y₂O₃, Yttria-Stabilized Zirconia, and ZrO₂. Chemistry of Materials 26 (4), 1690–1701 (2014).

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Kouvaris, N.E., T. Isele, A.S. Mikhailov and E. Schöll: Propagation failure of excitation waves on trees and random networks. EPL 106 (6), 68001 (2014).

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Kristiansen, P.T., M. Dahbi, T. Gustafsson, K. Edström, D. Newby, K.E. Smith and L.-C. Duda: X-ray absorption spectroscopy and resonant inelastic scattering study of the first lithiation cycle of the Li-ion battery cathode Li_2-xMnSiO₄. Physical Chemistry Chemical Physics 16 (8), 3846–3852 (2014).

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Kronik, L. and A. Tkatchenko: Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond. Accounts of Chemical Research 47 (11), 3208–3216 (2014).

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Kübel, M., K. Betsch, N.G. Kling , A.S. Alnaser, J. Schmidt, U. Kleineberg, Y. Deng, I. Ben-Itzhak, G.G. Paulus, T. Pfeifer, J.H. Ullrich, R. Moshammer, M.F. Kling and B. Bergues: Non-sequential double ionization of Ar: from the single- to the many-cycle regime. New Journal of Physics 16 (3), 033008 (2014).

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Kühl, S., A. Tarasov, S. Zander, I. Kasatkin and M. Behrens: Cu-Based Catalyst Resulting from a Cu,Zn,Al Hydrotalcite-Like Compound: A Microstructural, Thermoanalytical, and In Situ XAS Study. Chemistry - A European Journal 20 (13), 3782–3792 (2014).

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Kumagai, T., F. Hanke, S. Gawinkowski, J. Sharp, K. Kotsis, J. Waluk, M. Persson and L. Grill: Controlling intramolecular hydrogen transfer in a porphycene molecule with single atoms or molecules located nearby. Nature Chemistry 6 (1), 41–46 (2014).

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Küpper, J., S. Stern, L. Holmegaard, F. Filsinger, A. Rouzée, A. Rudenko, P. Johnsson, A.V. Martin, M. Adolph, A. Aquila, S. Bajt, A. Barty, C. Bostedt, J. Bozek, C. Caleman, R. Coffee, N. Coppola, T. Delmas, S. Epp, B. Erk, L. Foucar, T. Gorkhover, L. Gumprecht, A. Hartmann, R. Hartmann, G. Hauser, P. Holl, A. Hömke, N. Kimmel, F. Krasniqi, K.-U. Kühnel, J. Maurer, M. Messerschmidt, R. Moshammer, C. Reich, B. Rudek, R. Santra, I. Schlichting, C. Schmidt, S. Schorb, J. Schulz, H. Soltau, J.C.H. Spence, D. Starodub, L. Strüder, J. Thøgersen, M.J.J. Vrakking, G. Weidenspointner, T.A. White, C. Wunderer, G. Meijer, J. Ullrich, H. Stapelfeldt, D. Rolles and H.N. Chapman: X-Ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser. Physical Review Letters 112 (8), 083002 (2014).

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Kurnatowska, M., M.E. Schuster, W. Mista and L. Kepinski: Self-Regenerative Property of Nanocrystalline Ce_0.89M_0.11O_2−y (M = Pd, Rh) Mixed Oxides. ChemCatChem 6 (11), 3125–3131 (2014).

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Kwapien, K., J. Paier, J. Sauer, M. Geske, U. Zavyalova, R. Horn, P. Schwach, A. Trunschke and R. Schlögl: Zentren der Methanaktivierung auf Oberflächen von Lithium-dotiertem MgO. Angewandte Chemie 126 (33), 8919–8923 (2014).

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Kwapien, K., J. Paier, J. Sauer, M. Geske, U. Zavyalova, R. Horn, P. Schwach, A. Trunschke and R. Schlögl: Sites for Methane Activation on Lithium-Doped Magnesium Oxide Surfaces. Angewandte Chemie International Edition 53 (33), 8774–8778 (2014).

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Lee, J.J., B. Moritz, W.S. Lee, M. Yi, C.J. Jia, A.P. Sorini, K. Kudo, Y. Koike, K.J. Zhou, C. Monney, V. Strocov, L. Patthey, T. Schmitt, T.P. Devereaux and Z.X. Shen: Charge-orbital-lattice coupling effects in the dd excitation profile of one-dimensional cuprates. Physical Review B 89 (4), 041104(R) (2014).

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Lee, S., G.A. Ferguson, S. Seifert, B. Lee, J. Greeley, D. Teschner, V. Papaefthimiou, R. Schlögl, R.E. Winans, L.A. Curtiss and S. Vajda: Subnanometer cobalt clusters: Low temperature oxidative dehydrogenation catalysts. Abstracts of Papers of the American Chemical Society 247, Phys 471 (2014).

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Leicht, P., L. Zielke, S. Bouvron, R. Moroni, E. Voloshina, L. Hammerschmidt, Y. Dedkov and M. Fonin: In Situ Fabrication Of Quasi-Free-Standing Epitaxial Graphene Nanoflakes On Gold. ACS Nano 8 (4), 3735–3742 (2014).

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Li, Y., J.T. Lyon, A. Woodham, A. Fielicke and E. Janssens: The Geometric Structure of Silver-Doped Silicon Clusters. ChemPhysChem 15 (2), 328–336 (2014).

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Lin, Y. and D.S. Su: Fabrication of Nitrogen-Modified Annealed Nanodiamond with Improved Catalytic Activity. ACS Nano 8 (8), 7823–7833 (2014).

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Lira, E., L.R. Merte, F. Behafarid, L.K. Ono, L. Zhang and B. Roldan Cuenya: Role and Evolution of Nanoparticle Structure and Chemical State during the Oxidation of NO over Size- and Shape-Controlled Pt/γ-Al₂O₃ Catalysts under Operando Conditions. ACS Catalysis 4 (6), 1875–1884 (2014).

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Liu, B.H., M. McBriarty, M.J. Bedzyk, S.K. Shaikhutdinov and H.-J. Freund: Structural Transformations of Zinc Oxide Layers on Pt(111). The Journal of Physical Chemistry C 118 (49), 28725–28729 (2014).

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Liu, J., L. Jiang, B.S. Zhang, J. Jin, D.S. Su, S. Wang and G. Sun: Controllable Synthesis of Cobalt Monoxide Nanoparticles and the Size-Dependent Activity for Oxygen Reduction Reaction. ACS Catalysis 4 (9), 2998–3001 (2014).

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Liu, J., E. Rühl, A.P. Hitchcock, D.N. McIlroy, J.D. Bozek, T. Tyliszczak, A. Knop-Gericke, N.M. Boag and P.A. Dowben: Double Cation Formation from the Photo-Fragmentation of the closo-Carboranes. Zeitschrift für physikalische Chemie 228 (4-5), 421–436 (2014).

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Liu, W., A. Tkatchenko and M. Scheffler: Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces. Accounts of Chemical Research 47 (11), 3369–3377 (2014).

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Machado, E.G. and H. Varela: Oscillatory Instabilities in the Electrooxidation of Borohydride on Platinum. Journal of the Brazilian Chemical Society 25 (3), 442–447 (2014).

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Madix, R., J.C. Rodriguez-Reyes, C. Siler, A. Tkatchenko and C. Friend: Interactive displacement reactions in the surface oxidation chemistry of metallic gold. Abstracts of Papers of the American Chemical Society 248, Coll 434 (2014).

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Maganas, D., P.T. Kristiansen, L.-C. Duda, A. Knop-Gericke, S. DeBeer, R. Schlögl and F. Neese: Combined Experimental and Ab Initio Multireference Configuration Interaction Study of the Resonant Inelastic X-ray Scattering Spectrum of CO₂. The Journal of Physical Chemistry C 118 (35), 20163–20175 (2014).

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Maganas, D., M. Roemelt, T. Weyhermüller , R. Blume, M. Hävecker, A. Knop-Gericke, S. DeBeer, R. Schlögl and F. Neese: L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz. Physical Chemistry Chemical Physics 16 (1), 264–276 (2014).

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