Publications

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Journal Article

Qteish, A., A.I. Al-Sharif, M. Fuchs, M. Scheffler, S. Boeck and J. Neugebauer: Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 169 (1-3), 28–31 (2005).

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Radnik, J., A. Wahab, M. Schneider, M.-M. Pohl, R. Schlögl and B. Kubias: The influence of chemical transport via vapour phase on the properties of chloride and caesium doped V-Fe mixed oxide catalysts in the oxidation of butadiene to furan. Applied Catalysis A 285 (1-2), 139–150 (2005).

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Journal Article

Ratsch, C., A. Fielicke, A. Kirilyuk, J. Behler, G.von Helden, G. Meijer and M. Scheffler: Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. The Journal of Chemical Physics 122, 124302–1-124302–15 (2005).

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Journal Article

Reinköster, A., S. Korica, B. Langer, G. Prümper, D. Rolles, J. Viefhaus, S. Cvejanovic and U. Becker: Photoelectron and photoion study of the valence photoionization of C₆₀. Journal of Electron Spectreoscopy and Related Phenomena 144-147, 151–153 (2005).

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Ren, B., G. Picardi, B. Pettinger, R. Schuster and G. Ertl: Spitzenverstärkte Raman-Spektroskopie von Benzolthiol, adsorbiert an Au- und Pt-Einkristalloberflächen. Angewandte Chemie 117 (1), 141–144 (2005).

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Ren, B., G. Picardi, B. Pettinger, R. Schuster and G. Ertl: Tip-enhanced Raman spectroscopy of benzenethiol adsorbed on Au and Pt single-crystal surfaces. Angewandte Chemie International Edition 44 (1), 139–142 (2005).

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Journal Article

Ressler, T., B.L. Kniep, I. Kasatkin and R. Schlögl: The Microstructure of Copper Zinc Oxide Catalysts – Bridging the Materials Gap. Angewandte Chemie International Edition 44 (30), 4704–4707 (2005).

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Journal Article

Ressler, T., O. Timpe and F. Girgsdies: In situ bulk structural study on solid-state dynamics and catalytic activity correlations of a H₄[PNbMo₁₁O₄₀] partial oxidation catalyst. Zeitschrift für Kristallographie 220 (2/3), 295–305 (2005).

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Ressler, T., O. Timpe, F. Girgsdies, J. Wienold and T. Neisius: In situ investigations of the bulk structural evolution of vanadium containing heteropolyoxomolybdate catalysts during thermal activation. Journal of Catalysis 231 (2), 279–291 (2005).

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Ressler, T., J. Wienold and O. Timpe: Evolution of Catalyst Structure under Reaction Conditions From Time-resolved in situ XAS Investigations. Physica Scripta T115, 66–71 (2005).

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Journal Article

Rienks, E.D.L., N. Nilius, H.-P. Rust and H.-J. Freund: Surface potential of a polar oxide film: FeO on Pt(111). Physical Review B 71 (24), 241404–1-241404–4 (2005).

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Journal Article

Rinke, P., A. Qteish, J. Neugebauer, C. Freysoldt and M. Scheffler: Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors. New Journal of Physics 7, 126–1-126–35 (2005).

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Ritter, C., M. Heyde, B. Stegemann and K. Rademann: Contact-area dependence of frictional forces: Moving adsorbed antimony nanoparticles. Physical Review B 71 (8), 085405–1-085405–6 (2005).

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Roldan Cuenya, B., W. Keune, D. Li and S.D. Bader: Enhanced hyperfine magnetic fields for face-centered tetragonal Fe(110) ultrathin films on vicinal Pd(110). Physical Review B 71 (6), 064409 (2005).

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Journal Article

Rolles, D., M. Braune, S. Cvejanovic, O. Geßner, R. Hentges, S. Korica, B. Langer, T. Lischke, G. Prümper, A. Reinköster, J. Viefhaus, B. Zimmermann, V. McKoy and U. Becker: Isotope-induced partial localization of core electrons in the homonuclear molecule N₂. Nature 437, 711–715 (2005).

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Journal Article

Rößler, M., P. Geng and J. Wintterlin: A high-pressure scanning tunneling microscope for studying heterogeneous catalysis. Review of Scientific Instruments 76 (02), 023705–1-023705–7 (2005).

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Journal Article

Rüdel, A., U. Hergenhahn, K. Maier, E.E. Rennie, O. Kugeler, J. Viefhaus, P. Lin, R.R. Luccese and A.M. Bradshaw: Exchange interaction effects in NO core level photoionization cross-sections. New Journal of Physics 7, 189 (2005).

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Sayago, D.I., M. Polcik, G. Nisbet, C.L.A. Lamont and D.P. Woodruff: Local structure determination of a chiral adsorbate: Alanine on Cu(110). Surface Science 590 (1), 76–87 (2005).

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Schalow, T., M. Laurin, B. Brandt, S. Schauermann, S. Guimond, H. Kuhlenbeck, D.E. Starr, S.K. Shaikhutdinov, J. Libuda and H.-J. Freund: Sauerstoffspeicherung an der Metall-Oxid-Grenzfläche von Katalysatornanopartikeln. Angewandte Chemie 117 (46), 7773–7777 (2005).

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Schalow, T., M. Laurin, B. Brandt, S. Schauermann, S. Guimond, H. Kuhlenbeck, D.E. Starr, S.K. Shaikhutdinov, J. Libuda and H.-J. Freund: Oxygen storage at the metal/oxide interface of catalyst nanoparticles. Angewandte Chemie International Edition 44 (46), 7601–7605 (2005).

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Schillinger, R., C. Bromberger, H.J. Jänsch, H. Kleine, O. Kühlert, C. Weindel and D. Fick: Metallic Si(111)-(7x7)-reconstruction: A surface close to a Mott-Hubbard metal-insulator transition. Physical Review B 72 (11), 115314–1-115314–11 (2005).

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Schüle, A., O. Shekhah, W. Ranke, R. Schlögl and G. Kolios: Microkinetic modelling of the dehydrogenation of ethylbenzene to styrene over unpromoted iron oxides. Journal of Catalysis 231 (1), 172–180 (2005).

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Sensse, A. and M. Eiswirth: Feedback loops for chaos in activator-inhibitor systems. Journal of Chemical Physics 122 (04), 044516–1-044516–9 (2005).

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Sensse, A., K. Gatermann and M. Eiswirth: Analytic solution for the electrocatalytic oxidation of formic acid. Journal of Electroanalytical Chemistry 577 (1), 35–46 (2005).

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Sharon, M., D. Pradhan, R. Zacharia and V. Puri: Application of carbon nanomaterial as a microwave absorber. Journal of Nanoscience and Nanotechnology 5 (12), 2117–2120 (2005).

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Silvestre-Albero, J., G. Rupprechter and H.-J. Freund: Atmospheric pressure studies of selective 1,3-butadiene hydrogenation on Pd single crystals: effect of CO addition. Journal of Catalysis 235 (1), 52–59 (2005).

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Sklyadneva, I.Y., E.V. Chulkov, W.-D. Schöne, V.M. Silkin, R. Keyling and P.M. Echenique: Role of electron-phonon interactions versus electron-electron interactions in the broadening mechanism of the electron and hole linewidths in bulk Be. Physical Review B 71 (17), 174302 (2005).

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Stankic, S., M. Müller, O. Diwald, M. Sterrer, E. Knözinger and J. Bernardi: Size-dependent optical propeties of MgO nanocubes. Angewandte Chemie International Edition 44 (31), 4917–4920 (2005).

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Stankic, S., M. Müller, O. Diwald, M. Sterrer, E. Knözinger and J. Bernardi: MgO-Nanowürfel: über die Abhängigkeit der optischen Eigenschaften von der Teilchengröße. Angewandte Chemie 117 (31), 4996–4999 (2005).

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Stankic, S., M. Sterrer, P. Hofmann, J. Bernardi, O. Diwald and E. Knözinger: Novel optical surface properties of Ca²⁺-doped MgO nanocrystals. Nanoletters 5 (10), 1889–1893 (2005).

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Starr, D.E., F.M.T. Mendes, J. Middeke, R.-P. Blum, H. Niehus, D. Lahav, S. Guimond, A. Uhl, T. Klüner, M. Schmal, H. Kuhlenbeck, S. Shaikhutdinov and H.-J. Freund: Preparation and characterization of well-ordered, thin niobia films on a metal substrate. Surface Science 599 (1-3), 14–26 (2005).

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Starr, D.E., S.K. Shaikhutdinov and H.-J. Freund: Gold supported on oxide surfaces: environmental effects as studied by STM. Topics in Catalysis 36 (1-4), 33–41 (2005).

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Sterrer, M., T. Berger, O. Diwald, E. Knözinger, P.V. Sushko and A.L. Shluger: Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes. Journal of Chemical Physics 123 (06), 064714–1-064714–7 (2005).

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Sterrer, M., E. Fischbach, T. Risse and H.-J. Freund: Geometric characterization of a singly charged oxygen vacancy on a single-crystalline MgO(001) film by electron paramagnetic resonance spectroscopy. Physical Review Letters 94 (1829), 186101–1-186101–4 (2005).

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Sterrer, M., T. Risse and H.-J. Freund: Low temperature infrared spectra of CO adsorbed on the surface of MgO(001) thin films. Surface Science 596 (1-3), 222–228 (2005).

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Stolbov, S. and T.S. Rahman: First-principles study of some factors controlling the rate of ammonia decomposition on Ni and Pd surfaces. Journal of Chemical Physics 123 (20), 204716–1-204716–5 (2005).

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Su, D.S., X. Chen, G. Weinberg, A. Klein-Hoffmann, O. Timpe, S.B. Abd Hamid and R. Schlögl: Hierarchically Structured Carbon: Synthesis of Carbon Nanofibers Nested inside or Immobilized onto Modified Activated Carbon. Angewandte Chemie International Edition 44 (34), 2–6 (2005).

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Su, D.S., X. Chen, G. Weinberg, A. Klein-Hoffmann, O. Timpe, S.B. Abd Hamid and R. Schlögl: Hierarchisch strukturierter Kohlenstoff: Immobilisierung von Kohlenstoffnanofasern auf der Oberfläche und im Innern modifizierter Aktivkohle. Angewandte Chemie 117 (34), 5624–5628 (2005).

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Su, D.S., N.I. Maksimova, J.J. Delgado, N. Keller, G. Mestl, M.J. Ledoux and R. Schlögl: Nanocarbons in Selective Oxidative Dehydrogenation Reaction. Catalysis Today 102-103, 110–114 (2005).

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Sun, J., H. Zhang, D. Ma, Y. Chen, X. Bao, A. Klein-Hoffmann, N. Pfänder and D.S. Su: Alkanes-assisted low temperature formation of highly ordered SBA-15 with large cylindrical mesopores. Chemical Communcations 42, 5343–5345 (2005).

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Journal Article

Suprun, W.Y., D.P. Sabde, B. Kubias, H.-K. Schädlich and H. Papp: Transient isotopic studies on 1-butene oxidation over a VO_x-TiO₂ catalyst in presence of water vapour. Applied Catalysis A 289 (1), 66–73 (2005).

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Suzuki, T., Y. Temko, M.C. Xu and K. Jacobi: The atomic structure of InAs quantum dots on GaAs(112)A. Surface Science 595 (1-3), 194–202 (2005).

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Szizybalski, A., F. Girgsdies, A. Rabis, Y. Wang, M. Niederberger and T. Ressler: In situ investigations of structure-activity relationships of a Cu/ZrO₂ catalyst for the steam reforming of methanol. Journal of Catalysis 233 (2), 297–307 (2005).

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Temko, Y., T. Suzuki, M.C. Xu and K. Jacobi: Molecular-beam-epitaxy grown InAs islands on nominal and vicinal GaAs(2511)A surfaces. Surface Science 591 (1-3), 117–132 (2005).

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Temko, Y., T. Suzuki, M.C. Xu, K. Pötschke, D. Bimberg and K. Jacobi: InAs quantum dots on the GaAs(2¯5¯1¯1¯)B: STM and photoluminescence studies. Physical Review B 71 (4), 045336–1-045336–11 (2005).

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Teschner, D., A. Pestryakov, E. Kleimenov, M. Hävecker, H. Bluhm, H. Sauer, A. Knop-Gericke and R. Schlögl: High-pressure X-ray photoelectron spectroscopy of palladium model hydrogenation catalysts. Part 1: Effect of gas ambient and temperature. Journal of Catalysis 230 (1), 186–194 (2005).

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Teschner, D., A. Pestryakov, E. Kleimenov, M. Hävecker, H. Bluhm, H. Sauer, A. Knop-Gericke and R. Schlögl: High-pressure X-ray photoelectron spectroscopy of palladium model hydrogenation catalysts. Part 2: Hydrogenation of trans-2-pentene on palladium. Journal of Catalysis 230 (1), 195–203 (2005).

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Teschner, D., U. Wild, R. Schlögl and Z. Paál: Surface State and Composition of a Disperse Pd Catalyst after Its Exposure to Ethylene. Journal of Physical Chemisty B 109 (43), 20516–20521 (2005).

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Tham, A.T., C. Rödel, M. Lerch, D. Wang, D.S. Su, A. Klein-Hoffmann and R. Schlögl: A TEM study on ZrO₂-rich phases in the quasibinary system ZrO₂-Zr₃N₄: Comparison between fast and slowly cooled samples. Crystal Research and Technology 40 (3), 193–198 (2005).

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