Publications

Journal Article

Nelson, W., P. Bokes, P. Rinke and R.W. Godby: Self-interaction in Green's-function theory of the hydrogen atom. Physical Review A 75 (3), 032505 (2007).

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Journal Article

Neppl, S., U. Bauer, D. Menzel, P. Feulner, A. Shaporenko, M. Zharnikov, P. Kao and D.L. Allara: Charge transfer dynamics in self-assembled monomolecular films. Chemical Physics Letters 447 (4-6), 227–231 (2007).

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Journal Article

Nisbet, G., C.L.A. Lamont, M. Polcik, R. Terborg, D.I. Sayago, J.T. Hoeft, M. Kittel, R.L. Toomes and D.P. Woodruff: Structural analysis of Pt(111)c(√3x5)rect.-CO using photoelectron diffraction. Surface Science 601 (5), 1296–1303 (2007).

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Nowitzki, T., A.F. Carlsson, O.N. Martyanov, M. Naschitzki, V. Zielasek, T. Risse, M. Schmal, H.-J. Freund and M. Bäumer: Oxidation of alumina-supported Co and Co-Pd model catalysts for the Fischer-Tropsch reaction. The Journal of Physical Chemistry C 111 (24), 8566–8572 (2007).

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Ohta, T., A. Bostwick, J.L. McChesney, T. Seyller, K. Horn and E. Rotenberg: Interlayer Interaction and Electronic Screening in Multilayer Graphene Investigated with Angle-Resolved Photoemission Spectroscopy. Physical Review Letters 98 (20), 206802 (2007).

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Ono, L.K. and B. Roldan Cuenya: Effect of interparticle interaction on the low temperature oxidation of CO over size-selected Au nanocatalysts supported on ultrathin TiC films. Catalysis Letters 113 (3-4), 86–94 (2007).

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Journal Article

Organ, L., Y. Tiwary, J.R. Scully, A.S. Mikhailov and J.L. Hudson: Interactions among metastable pits on heterogeneous electrodes. Electrochimica Acta 52 (24), 6784–6792 (2007).

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Paál, Z., N. Györffy, A. Wootsch, L. Tóth, I. Bakos, S. Szabó, U. Wild and R. Schlögl: Preparation, physical characterization and catalytic properties of unsupported Pt–Rh catalyst. Journal of Catalysis 250 (2), 254–263 (2007).

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Pascual, J.I., C. Corriol, G. Ceballos, I. Aldazabal, H.-P. Rust, K. Horn, J.M. Pitarke, P.M. Echenique and A. Arnau: Role of the electric field in surface electron dynamics above the vacuum level. Physical Review B 75 (16), 165326 (2007).

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Perathoner, S., R. Passalacqua, G. Centi, D.S. Su and G. Weinberg: Photoactive titania nanostructured thin films: Synthesis and characteristics of ordered helical nanocoil array. Catalysis Today 122, 3–13 (2007).

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Pestryakov, A.N., N. Bogdanchikova, A. Simakov, I. Tuzovskaya, F.C. Jentoft, M. Farias and A. Díaz: Catalytically active gold clusters and nanoparticles for CO oxidation. Surface Science 601 (18), 3792–3795 (2007).

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Journal Article

Pettinger, B., K.F. Domke, D. Zhang, R. Schuster and G. Ertl: Direct monitoring of plasmon resonances in a tip-surface gap of varying width. Physical Review B 76 (11), 113409 (2007).

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Piancastelli, M.N., Z. Bao, F. Hennies, O. Travnikova, D. Céolin, T.U. Kampen and K. Horn: Electronic and geometric structure of methyl oxirane adsorbed on Si(100) 2 x 1. Applied Surface Science 254 (1), 108–112 (2007).

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Pietraszek, A., P. Da Costa, R. Marques, P. Kornelak, T.W. Hansen, J. Camra and M. Najbar: The effect of the Rh-Al, Pt-Al and Pt-Rh-Al surface alloys on NO conversion to N₂ on alumina supported Rh, Pt and Pt-Rh catalysts. Catalysis Today 119, 187–193 (2007).

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Piskunov, S., E. Spohr, T. Jacob, E.A. Kotomin and D.E. Ellis: Electronic and magnetic structure of La_0.875Sr_0.125MnO₃ calculated by means of hybrid density-functional theory. Physical Review B 76 (1), 012410 (2007).

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Pittalis, S., S. Kurth, S. Sharma and E.K.U. Gross: Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem. The Journal of Chemical Physics 127 (12), 124103 (2007).

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Ponomaryov, A.N., E.V. Savchenko, I.V. Khyzhniy, G.B. Gumenchuk, M. Frankowski and V.E. Bondybey: Thermoactivation spectroscopy of solid Ar doped with N₂. Low Temperature Physics 33 (6-7), 532–537 (2007).

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Pozdnyakova-Tellinger, O., D. Teschner, J. Kröhnert, F.C. Jentoft, A. Knop-Gericke, R. Schlögl and A. Wootsch: Surface water assisted preferential CO oxidation on Pt/CeO₂ catalyst. The Journal of Physical Chemistry C 111 (14), 5426–5431 (2007).

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Prati, L., A. Villa, F. Porta, D. Wang and D.S. Su: Single-phase gold/palladium catalyst: the nature of synergistic effect. Catalysis Today 122 (3-4), 386–390 (2007).

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Prümper, G., T. Lischke, H. Fukuzawa, A. Reinköster and K. Ueda: Upper limits for the circular dichroism for the C 1s and O 1s core excitation of methyl oxirane. Journal of Physics B 40 (17), 3425–3434 (2007).

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Punckt, C., F.S. Merkt and H.-H. Rotermund: Simple reflection anisotropy microscopy set-up for CO oxidation studies. New Journal of Physics 9 (7), 213 (2007).

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Punckt, C. and H.-H. Rotermund: Optical imaging of pattern formation: reflection anisotropy microscopy applied to globally coupled oscillatory CO-oxidation. Physical Chemistry Chemical Physics 9 (27), 3635–3640 (2007).

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Reichelt, R., S. Günther, M.W. Rößler, J. Wintterlin, B. Kubias, B. Jacobi and R. Schlögl: High-pressure STM of the interaction of oxygen with Ag(111). Physical Chemistry Chemical Physics 9 (27), 3590–3599 (2007).

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Ressler, T. and O. Timpe: Time-resolved studies on correlations between dynamic electronic structure and selectivity of a H₅[PV₂Mo₁₀O₄₀] partial oxidation catalyst. Journal of Catalysis 247 (2), 231–237 (2007).

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Reuter, K. and M. Scheffler: Erratum: Composition, structure, and stability of RuO₂(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)]. Physical Review B 75 (4), 049901 (2007).

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Rienks, E.D.L., N. Nilius, L. Giordano, J. Goniakowski, G. Pacchioni, M.P. Felicissimo, T. Risse, H.-P. Rust and H.-J. Freund: Local zero-bias anomaly in tunneling spectra of a transition-metal oxide thin film. Physical Review B 75 (20), 205443 (2007).

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Rinke, P., A. Qteish, J. Neugebauer and M. Scheffler: Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Ψk Newsletter (79), 163–189 (2007).

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Rödel, E., O. Timpe, A. Trunschke, G.A. Zenkovets, G.N. Kryukova, R. Schlögl and T. Ressler: Structure stabilizing effect of tungsten in mixed molybdenum oxides with Mo₅O₁₄-type structure. Catalysis Today 126 (1-2), 112–118 (2007).

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Rogal, J., K. Reuter and M. Scheffler: CO oxidation at Pd(100): A first-principles constrained thermodynamics study. Physical Review B 75 (20), 205433 (2007).

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Rogal, J., K. Reuter and M. Scheffler: First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100). Physical Review Letters 98 (4), 046101 (2007).

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Journal Article

Roldan Cuenya, B., A. Naitabdi, J. Croy, W. Sturhahn, J.Y. Zhao, E.E. Alp, R. Meyer, D. Sudfeld, E. Schuster and W. Keune: Atomic vibrations in iron nanoclusters: Nuclear resonant inelastic x-ray scattering and molecular dynamics simulations. Physical Review B 76 (19), 195422 (2007).

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Roldan Cuenya, B., A. Naitabdi, E. Schuster, R. Peters, M. Doi and W. Keune: Epitaxial growth, magnetic properties, and lattice dynamics of Fe nanoclusters on GaAs(001). Physical Review B 76 (9), 094403 (2007).

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Ruiz-Osés, M., T.U. Kampen, N. González-Lakunza, I. Silanes, P.M. Schmidt-Weber, A. Gourdon, A. Arnau, K. Horn and J.E. Ortega: Spectroscopic Fingerprints of Amine and Imide Functional Groups in Self-Assembled Monolayers. ChemPhysChem 8 (11), 1722–1726 (2007).

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Journal Article

Sánchez-Portal, D., D. Menzel and P.M. Echenique: First-principles calculation of charge transfer at surfaces: The case of core-excited Ar^*(2p^-1_3/2 4s) on Ru(0001). Physical Review B 76 (23), 235406 (2007).

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Santoprete, R., P. Kratzer, M. Scheffler, R.B. Capaz and B. Koiller: Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding study. Journal of Applied Physics 102 (2), 023711 (2007).

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Journal Article

Santra, B., A. Michaelides and M. Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit. The Journal of Chemical Physics 127 (18), 184104 (2007).

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Journal Article

Savchenko, E.V., I.V. Khyzhniy, G.B. Gumenchuk, A.N. Ponomaryov, M.K. Beyer, V.E. Bondybey and M. Frankowski: Photo- and thermally stimulated relaxation processes in pre-irradiated atomic solids. Radiation Physics and Chemistry 76 (3), 577–581 (2007).

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Schalow, T., B. Brandt, M. Laurin, S. Guimond, D.E. Starr, S.K. Shaikhutdinov, S. Schauermann, J. Libuda and H.-J. Freund: Formation and catalytic activity of partially oxidized Pd nanoparticles. Topics in Catalysis 42-43 (1-4), 387–391 (2007).

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Schalow, T., B. Brandt, D.E. Starr, M. Laurin, S.K. Shaikhutdinov, S. Schauermann, J. Libuda and H.-J. Freund: Particle size dependent adsorption and reaction kinetics on reduced and partially oxidized Pd nanoparticles. Physical Chemistry Chemical Physics 9 (11), 1347–1361 (2007).

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Journal Article

Schlunk, S., A. Marian, P. Geng, A.P. Mosk, G. Meijer and W. Schöllkopf: Trapping of Rb Atoms by ac Electric Fields. Physical Review Letters 98 (22), 223002 (2007).

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Schmidt, P.M., K. Horn, J.H. Dil and T.U. Kampen: Conformational isomers of stilbene on Si(1 0 0). Surface Science 601 (8), 1775–1780 (2007).

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Schnell, M., P. Lützow, J. van Veldhoven, H.L. Bethlem, J. Küpper, B. Friedrich, M. Schleier-Smith, H. Haak and G. Meijer: A Linear AC Trap for Polar Molecules in Their Ground State. The Journal of Physical Chemistry A 111 (31), 7411–7419 (2007).

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Schöne, W.-D.: Theoretical determination of electronic lifetimes in metals. Progress in Surface Science 82 (4-6), 161–192 (2007).

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Schüle, A., U. Nieken, O. Shekhah, W. Ranke, R. Schlögl and G. Kolios: Styrene synthesis over iron oxide catalysts: from single crystal model system to real catalyst. Physical Chemistry Chemical Physics 9 (27), 3619–3634 (2007).

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Selvam, T., M. Kostner, G. Mabande, W. Schwieger, N. Pfänder and R. Schlögl: Synthesis, characterization and catalytic properties of mesoporous Al-FSM-16 materials. Journal of Porous Materials 14 (3), 263–272 (2007).

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Shallcross, S., L. Nordström and S. Sharma: Magnetic phase diagrams from non-collinear canonical band theory. Physical Review B 76 (5), 054444 (2007).

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Sharma, S., J.K. Dewhurst, C. Ambrosch-Draxl, S. Kurth, N. Helbig, S. Pittalis, S. Shallcross, L. Nordström and E.K.U. Gross: First-principles approach to noncollinear magnetism: Towards spin dynamics. Physical Review Letters 98 (19), 196405 (2007).

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Sharma, S., S. Pittalis, S. Kurth, S. Shallcross, J.K. Dewhurst and E.K.U. Gross: Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory. Physical Review B 76 (10), 100401 (2007).

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Shukla, A.K., P. Krüger, R.S. Dhaka, D.I. Sayago, K. Horn and S.R. Barman: Understanding the 2p core-level spectra of manganese: Photoelectron spectroscopy experiments and Anderson impurity model calculations. Physical Review B 75 (23), 235419 (2007).

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