Publications

Journal Article

Marom, N., A. Tkatchenko, M. Scheffler and L. Kronik: Describing both dispersion interactions and electronic structure using density functional theory: The case of metal-phthalocyanine dimers. Journal of Chemical Theory and Computation 6 (1), 81–90 (2010).

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Martínez-Blanco, J., M. Klingsporn and K. Horn: Selective adsorption of coronene on Si(1 1 1)-(7 × 7). Surface science 604 (5-6), 523–528 (2010).

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Journal Article

Matera, S. and K. Reuter: Transport limitations and bistability for in situ CO oxidation at RuO₂(110): First-principles based multiscale modeling. Physical Review B 82 (08), 085446 (2010).

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McChesney, J.L., A. Bostwick, T. Ohta, T. Seyller, K. Horn, J. Gonzalez and E. Rotenberg: Extended van Hove Singularity and Superconducting Instability in Doped Graphene. Physical review letters 104, 136803 (2010).

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McGregor, J., Z. Huang, E.P.J. Parrott, J.A. Zeitler, K.L. Nguyen, J.M. Rawson, A. Carley, T.W. Hansen, J.-P. Tessonnier, D.S. Su, D. Teschner, E.M. Vass, A. Knop-Gericke, R. Schlögl and L.F. Gladden: Active coke: Carbonaceous materials as catalysts for alkane dehydrogenation. Journal of Catalysis 269 (2), 329–339 (2010).

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McNellis, E.R., C. Bronner, J. Meyer, M. Weinelt, P. Tegeder and K. Reuter: Azobenzene versus 3,3,5,5-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups. Physical Chemistry Chemical Physics 12, 6404–6412 (2010).

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McNellis, E.R., G. Mercurio, S. Hagen, F. Leyssner, J. Meyer, S. Soubatch, M. Wolf, K. Reuter, P. Tegeder and F.S. Tautz: Bulky spacer groups – A valid strategy to control the coupling of functional molecules to surfaces? Chemical Physics Letters 499 (4-6), 247–249 (2010).

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Mercurio, G., E.R. McNellis, I. Martin, S. Hagen, F. Leyssner, S. Soubatch, J. Meyer, M. Wolf, P. Tegeder, F.S. Tautz and K. Reuter: Structure and energetics of azobenzene at Ag(111): Benchmarking semiempirical dispersion correction approaches. Physical Review Letters 104 (03), 036102 (2010).

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Journal Article

Monni, M., F. Bernardini, G. Profeta, A. Sanna, S. Sharma, J.K. Dewhurst, C. Bersier, A. Continenza, E.K.U. Gross and S. Massidda: Static and dynamical susceptibility of LaO1−xFxFeAs. Physical review / B 81 (10), 104503 (2010).

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Moreno, M., J.I. Cerdá, K.H. Ploog and K. Horn: Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs. Physical review / B 82, 045117 (2010).

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Journal Article

Mostafa, S., F. Behafarid, J.R. Croy, L.K. Ono, L. Li, Y.C. Yang, A.I. Frenkel and B. Roldan Cuenya: Shape-Dependent Catalytic Properties of Pt Nanoparticles. Journal of the American Chemical Society 132 (44), 15714–15719 (2010).

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Mucke, M., M. Braune, S. Barth, M. Förstel, T. Lischke, V. Ulrich, T. Arion, U. Becker, A. Bradshaw and U. Hergenhahn: A hitherto unrecognized source of low-energy electrons in water. Nature Physics 6, 143–146 (2010).

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Mulakaluri, N., R. Pentcheva and M. Scheffler: Coverage-dependent adsorption mode of water on Fe₃O₄(001): Insights from first principles calculations. Journal of Physical Chemistry C 114 (25), 11148–11156 (2010).

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Myrach, P., N. Nilius, S.V. Levchenko, A. Gonchar, T. Risse, K.-P. Dinse, L.A. Boatner, W. Frandsen, R. Horn, H.-J. Freund, R. Schlögl and M. Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 2 (7), 854–862 (2010).

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Nakao, H. and A.S. Mikhailov: Turing patterns in network-organized activator-inhibitor systems. Nature Physics 6 (7), 544–550 (2010).

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Nelin, C.J., P.S. Bagus, E.S. Ilton, S.A. Chambers, H. Kuhlenbeck and H.-J. Freund: Relationships between complex core level spectra and materials properties. International Journal of Quantum Chemistry 110 (15), 2752–2764 (2010).

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Neyman, K.M. and S. Schauermann: Hydrogen diffusion into palladium nanoparticles: Pivotal promotion by carbon. Angewandte Chemie International Edition 49 (28), 4743–4746 (2010).

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Neyman, K.M. and S. Schauermann: Diffusion von Wasserstoff in Palladium-Nanopartikeln: entscheidende Begünstigung durch Kohlenstoff. Angewandte Chemie 122 (28), 4851–4854 (2010).

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Ngan, V.T., P. Gruene, P. Claes, E. Janssens, A. Fielicke, M.T. Nguyen and P. Lievens: Disparate Effects of Cu and V on Structures of Exohedral Transition Metal-Doped Silicon Clusters: A Combined Far-Infrared Spectroscopic and Computational Study. Journal of the American Chemical Society 132 (44), 15589–15602 (2010).

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Nilius, N., M.V. Ganduglia-Pirovano, V. Brázdová, M. Kulawik, J. Sauer and H.-J. Freund: Electronic properties and charge state of gold monomers and chains adsorbed on alumina thin films on NiAl(110). Physical Review B 81 (4), 045422–1-045422–7 (2010).

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Ocampo, F., J.A. Cunha, M.R. de Lima Santos, J.-P. Tessonnier, M.M. Pereira and B. Louis: Synthesis of zeolite crystals with unusual morphology: Application in acid catalysis. Applied catalysis A 390 (1-2), 102–109 (2010).

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Odashima, H., S. Merz, K. Enomoto, M. Schnell and G. Meijer: Microwave Lens for Polar Molecules. Physical Review Letters 104, 253001 (2010).

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Ono, L.K., B. Yuan, H. Heinrich and B. Roldan Cuenya: Formation and Thermal Stability of Platinum Oxides on Size-Selected Platinum Nanoparticles: Support Effects. The Journal of Physical Chemistry C 114 (50), 22119–22133 (2010).

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Osterwalder, A., S.A. Meek, G. Hammer, H. Haak and G. Meijer: Deceleration of neutral molecules in macroscopic traveling traps. Physical Review A, Rapid Comm. 81 (5), 051401–1-051401–4 (2010).

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Óvári, L., Y. Luo, F. Leyssner, R. Haag, M. Wolf and P. Tegeder: Adsorption and switching properties of a N-benzylideneaniline based molecular switch on a Au(111) surface. Journal of Chemical Physics 133 (4), 044707–1-044707–8 (2010).

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Journal Article

Oyama, S.T., J. Gaudet, W. Zhang, D.S. Su and K.K. Bando: Platinum-Like Catalytic Behavior of Au⁺¹. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 2 (12), 1582–1586 (2010).

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Pang, M., C. Li, L. Ding, J. Zhang, D.S. Su, W. Li and C. Liang: Microwave-Assisted Preparation of Mo₂C/CNTs Nanocomposites as Efficient Electrocatalyst Supports for Oxygen Reduction Reaction. Industrial and Engineering Chemistry Research 49 (9), 4169–4174 (2010).

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Paraknowitsch, J.P., J. Zhang, D.S. Su, A. Thomas and M. Antonietti: Ionic Liquids as Precursors for Nitrogen-Doped Graphitic Carbon. Advanced Materials 22 (1), 87–92 (2010).

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Parkinson, G.S., N. Mulakaluri and Y. Losovyj: Semiconductor-half metal transition at the Fe3O4(001) surface upon hydrogen adsorption. Physical review / B 82, 125413 (2010).

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Pettinger, B.: Single-molecule surface- and tip-enhanced Raman spectroscopy. Molecular Physics 108 (16), 2039–2059 (2010).

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Piccinin, S., N.L. Nguyen, C. Stampfl and M. Scheffler: First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles. Journal of Materials Chemistry 20, 10521–10527 (2010).

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Piccinin, S., S. Zafeiratos, C. Stampfl, T.W. Hansen, M. Hävecker, D. Teschner, V.I. Bukhtiyarov, F. Girgsdies, A. Knop-Gericke, R. Schlögl and M. Scheffler: Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation. Physical Review Letters 104 (3), 035503 (2010).

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Pinto, F.V., A.S. Escobar, B.G. de Oliveira, Y.L. Lam, H.S. Cerqueira, B. Louis, J.-P. Tessonnier, D.S. Su and M.M. Pereira: The effect of alumina on FCC catalyst in the presence of nickel and vanadium. Applied Catalysis A: General 388, 15–20 (2010).

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Plodinec, M., I. Friščić, D. Iveković, N. Tomašić, D.S. Su, J. Zhang and A. Gajovic: Mechanochemical stability of hydrogen titanate nanostructures. Journal of Alloys and Compounds 499 (1), 113–120 (2010).

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Radziuk, D., D. Grigoriev, W. Zhang, D.S. Su, H. Möhwald and D. Shchukin: Ultrasound-Assisted Fusion of Preformed Gold Nanoparticles. Journal of Physical Chemistry C 114 (4), 1835–1843 (2010).

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Radziuk, D.V., W. Zhang, D. Shchukin and H. Möhwald: Ultrasonic Alloying of Preformed Gold and Silver Nanoparticles. Small 6 (4), 545–553 (2010).

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Journal Article

Rameshan, C., W. Stadlmayr, C. Weilach, S. Penner, H. Lorenz, M. Hävecker, R. Blume, T. Rocha, D. Teschner, A. Knop-Gericke, R. Schlögl, N. Memmel, D. Zemlyanov, G. Rupprechter and B. Klötzer: Subsurface-Controlled CO₂ Selectivity of PdZn Near-Surface Alloys in H₂ Generation by Methanol Steam Reforming. Angewandte Chemie International Edition 49 (18), 3224–3227 (2010).

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Journal Article

Rameshan, C., C. Weilach, W. Stadlmayr, S. Penner, H. Lorenz, M. Haevecker, R. Blume, T. Rocha, D. Teschner, A. Knop-Gericke, R. Schlögl, D. Zemlyanov, N. Memmel, G. Rupprechter and B. Klötzer: Steam reforming of methanol on PdZn near-surface alloys on Pd(1 1 1) and Pd foil studied by in-situ XPS, LEIS and PM-IRAS. Journal of Catalysis 276 (1), 101–113 (2010).

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Ressler, T., A. Walter, J. Scholz, J.-P. Tessonnier and D.S. Su: Structure and properties of a Mo oxide catalyst supported on hollow carbon nanofibers in selective propene oxidation. Journal of Catalysis 271 (2), 305–314 (2010).

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Rijs, A.M., G. Ohanessian, J. Oomens, G. Meijer, G.von Helden and I. Compagnon: Internal proton transfer leading to stable zwitterionic structures in a neutral isolated peptide. Angewandte Chemie International Edition 49 (13), 2332–2335 (2010).

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Rijs, A.M., G. Ohanessian, J. Oomens, G. Meijer, G.von Helden and I. Compagnon: Internal Proton Transfer Leading to Stable Zwitterionic Structures in a Neutral Isolated Peptide. Angewandte Chemie 122 (13), 2382–2385 (2010).

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Rinaldi, A., J. Zhang, B. Frank, D.S. Su, S.B. Abd Hamid and R. Schlögl: Oxidative Purification of Carbon Nanotubes and Its Impact on Catalytic Performance in Oxidative Dehydrogenation Reactions. ChemSusChem 3 (2), 254–260 (2010).

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Roldan Cuenya, B.: Synthesis and catalytic properties of metal nanoparticles: Size, shape, support, composition, and oxidation state effects. Thin Solid Films 518 (12), 3127–3150 (2010).

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Roldan Cuenya, B., J.R. Croy, S. Mostafa, F. Behafarid, L. Li, Z. Zhang, J.C. Yang, Q. Wang and A.I. Frenkel: Solving the Structure of Size-Selected Pt Nanocatalysts Synthesized by Inverse Micelle Encapsulation. Journal of the American Chemical Society 132 (25), 8747–8756 (2010).

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Roldan Cuenya, B., A.I. Frenkel, S. Mostafa, F. Behafarid, J.R. Croy, L.K. Ono and Q. Wang: Anomalous lattice dynamics and thermal properties of supported size- and shape-selected Pt nanoparticles. Physical Review B 82 (15), 155450 (2010).

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Rosenthal, D., M. Ruta, R. Schlögl and L. Kiwi-Minsker: Combined XPS and TPD study of oxygen-functionalized carbon nanofibers grown on sintered metal fibers. Carbon 48 (6), 1835–1843 (2010).

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Rossi, M., V. Blum, P. Kupser, G.von Helden, F. Bierau, K. Pagel, G. Meijer and M. Scheffler: Secondary Structure of Ac-Ala_n-LysH⁺ Polyalanine Peptides (n = 5,10,15) in Vacuo: Helical or Not? The Journal of Physical Chemistry Letters 1 (24), 3465–3470 (2010).

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Rubio, A.: Hybridized graphene: Nanoscale patchworks. Nature Materials 9, 379–380 (2010).

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