Publications

Journal Article

Friedrich, B.: Book Review Fritz Haber: Chemist, Nobel Laureate, German, Jew. By Dietrich Stoltzenberg. Angewandte Chemie International Edition 44 (26), 3957–3961 (2005).

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Fuchs, M., B. Jenewein, S. Penner, K. Hayek, G. Rupprechter, D. Wang, R. Schlögl, J.J. Calvino and S. Bernal: Interaction of Pt and Rh nanoparticles with ceria supports: Ring opening of methylcyclobutane and CO hydrogenation after reduction at 373 – 723 K. Applied Catalysis A 294, 279–289 (2005).

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Journal Article

Fuchs, M., Y.-M. Niquet, X. Gonze and K. Burke: Describing static correlation in bond dissociation by Kohn-Sham density functional theory. The Journal of Chemical Physics 122 (9), 094116 (2005).

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Journal Article

Gatermann, K., M. Eiswirth and A. Sensse: Toric ideals and graph theory to analyze Hopf bifurcations in mass action systems. Journal of Symbolic Computation 40 (6), 1361–1382 (2005).

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Giacomini, M.T. and R. Schuster: Localized electrosynthesis of polypyrrole by application of short voltage pulses. Physical Chemistry Chemical Physics 7 (3), 518–523 (2005).

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Girgsdies, F., T. Ressler, U. Wild, T. Wübben, T.J. Balk, G. Dehm, L. Zhou, S. Günther, E. Arzt, R. Imbihl and R. Schlögl: Strained thin copper films as model catalysts in the materials gap. Catalysis Letters 102 (1-2), 91–97 (2005).

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Grasset, F., G. Starukh, L. Spanhel, S. Ababou-Girard, D.S. Su and A. Klein-Hoffmann: From ZnO Colloids to Nanocrystalline Colored Zn_xTi_yO_w-zN_z-Spinel Films. Advanced Materials 17 (3), 294–297 (2005).

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Győrffy, N., L. Tóth, M. Bartók, J. Ocskó, U. Wild, R. Schlögl, D. Teschner and Z. Paál: Palladium-platinum powder catalysts manufactured by colloid synthesis II. Characterization and catalytic tests after oxidizing and reducing treatment. Journal of Molecular Catalysis A 238 (1-2), 102–110 (2005).

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Hagen, A., M. Steiner, M.B. Raschke, C. Lienau, T. Hertel, H. Qian, A.J. Meixner and A. Hartschuh: Exponential decay lifetimes of excitons in individual single-walled carbon nanotubes. Physical Review Letters 95 (19), 197401 (2005).

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Hahn, A.H.P., R.E. Jentoft, T. Ressler, G. Weinberg, R. Schlögl and F.C. Jentoft: Rapid Genesis of Active Phase during Calcination of Promoted Sulfated Zirconia Catalysts. Journal of Catalysis 236, 324–334 (2005).

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Hashemifar, S.J., P. Kratzer and M. Scheffler: Preserving the half-metallicity at the Heusler alloy Co₂MnSi(001) surface: A density functional theory study. Physical Review Letters 94 (9), 096402 (2005).

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Hävecker, M., N. Pinna, K. Weiß, H. Sack-Kongehl, R.E. Jentoft, D. Wang, M. Swoboda, U. Wild, M. Niederberger, J. Urban, D.S. Su and R. Schlögl: Synthesis and functional verification of the unsupported active phase of V_xO_y catalysts for partial oxidation of n-butane. Journal of Catalysis 236 (2), 221–232 (2005).

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Helden, G.von, A. Fielicke and G. Meijer: Strukturaufklärung mit FELIX; Infrarot-Spektroskopie von Molekülen und Clustern am Freie-Elektronen-Laser FELIX. Physik Journal 4 (7), 39–44 (2005).

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Henrich, V.E. and S.K. Shaikhutdinov: Atomic geometry of steps on metal-oxide single crystals. Surface Science 574 (2-3), 306–316 (2005).

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Hertel, T., A. Hagen, V. Talalaev, K. Arnold, F. Hennrich, M. Kappes, S. Rosenthal, J. McBride, H. Ulbricht and E. Flahaut: Spectroscopy of single- and double-wall carbon nanotubes in different environments. Nano Letters 5 (3), 511–514 (2005).

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Hess, C., I.J. Drake, J.D. Hoefelmeyer, T.D. Tilley and A.T. Bell: Partial Oxidation of Methanol over Highly Dispersed Vanadia Supported on Silica SBA-15. Catalysis Letters 105 (1-2), 1–8 (2005).

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Heyde, M., M. Sterrer, H.-P. Rust and H.-J. Freund: Atomic resolution on MgO(001) by atomic force microscopy using a double quartz tuning fork sensor at low-temperature and ultrahigh vacuum. Applied Physics Letters 87 (08), 083104–1-083104–3 (2005).

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Heyde, M., G. Thielsch, H.-P. Rust and H.-J. Freund: A reverse pendulum bath cryostat design suitable for low temperature scanning probe microscopy. Measurement Science & Technology 16 (3), 859–864 (2005).

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Hill, T., T. Risse and H.-J. Freund: Reorganization of small Co particles on Al₂O₃ surfaces monitored by ferromagnetic resonance. Journal of Chemical Physics 122 (16), 164704–1-164704–9 (2005).

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Hosoi, Y., N. Koch, Y. Sakurai, H. Ishii, T.U. Kampen, G. Salvan, D.R.T. Zahn, G. Leising, Y. Ouchi and K. Seki: Structural study of thin films of neutral and potassium-doped oligophenylenes on Cu(1 0 0). Surface Science 589 (1-3), 19–31 (2005).

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Huang, W., W. Ranke and R. Schlögl: Molecular Level Understanding the Catalytic Cycle of Dehydrogenation of Ethylbenzene to Styrene over Iron Oxide-based Catalyst. Journal of Physical Chemistry B 109 (19), 9202–9204 (2005).

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Ireta, J., J. Neugebauer, M. Scheffler, A. Rojo and M. Galván: Structural transitions in the polyalanine α-Helix under uniaxial strain. Journal of the American Chemical Society 127 (49), 17241–17244 (2005).

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Ismer, L., J. Ireta, S. Boeck and J. Neugebauer: Phonon spectra and thermodynamic properties of the infinite polyalanine α helix: A density-functional-theory-based harmonic vibrational analysis. Physical Review E 71, 031911–1-031911–5 (2005).

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Jacobsen, K., S. Oga, W.L. Hubbell and T. Risse: Determination of the orientation of T4 lysozyme vectorially bound to a planar-supported lipid bilayer using site-directed spin labeling. Biophysical Journal 88 (6), 4351–4365 (2005).

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Jentoft, F.C., J. Kröhnert and R. Schlögl: IR Spectroscopic Investigation of Heteropolymolybdate Catalysts: Acidic Properties and Reactivity towards Propene. Zeitschrift für Physikalische Chemie 219 (7), 1019–1045 (2005).

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Jentoft, R.E., A.H.P. Hahn, F.C. Jentoft and T. Ressler: XAS In Situ Cell for Measurements of Mn and Fe Promoted Sulfated Zirconia Catalysts. Physica Scripta T115, 794–797 (2005).

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Jentoft, R.E., A.H.P. Hahn, F.C. Jentoft and T. Ressler: In-situ XANES Study on Mn in Promoted Sulfated Zirconia Catalysts. Physical Chemistry Chemical Physics 7 (14), 2830–2838 (2005).

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Kaichev, V.V., V.I. Bukhtiyarov, G. Rupprechter and H.-J. Freund: Activation of the C-O bond on the surface of palladium: An in situ study by X-ray photoelectron spectroscopy and sum frequency generation. Kinetics and Catalysis 46 (2), 269–281 (2005).

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Kalinin, A., O. Kornilov, W. Schöllkopf and J.P. Toennies: Observation of Mixed Fermionic-Bosonic Helium Clusters by Transmission Grating Diffraction. Physical Review Letters 95, 113402–1-113402–4 (2005).

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Karge, H.G.: Infrared Spectroscopic Investigation of Diffusion, Co-Diffusion and Counter-Diffusion of Hydrocarbon Molecules in Zeolites. Comptes Rendus Chimie 8 (3-4), 303–319 (2005).

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Ketteler, G. and W. Ranke: Epitaxial iron oxide growth on a stepped Pt(9 11 11) surface. Journal of Vacuum Science and Technology A 23 (4), 1055–1060 (2005).

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Kim, J.W., M. Carbone, J.H. Dil, M. Tallarida, R. Flammini, M.P. Casaletto, K. Horn and M.N. Piancastelli: Atom-Specific Identification of Adsorbed Chiral Molecules by Photoemission. Physical Review Letters 95 (10), 107601 (2005).

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Kim, S.H., J. Méndez, J. Wintterlin and G. Ertl: Enhanced reactivity of adsorbed oxygen on Pd(111) induced by compression of the oxygen layer. Physical Review B 72 (15), 155414 (2005).

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Kirilenko, O., F. Girgsdies, R.E. Jentoft and T. Ressler: In situ XAS and XRD study on the structural evolution of ammonium paratungstate during thermal decomposition. European Journal of Inorganic Chemistry (11), 2124–2133 (2005).

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Kleiman, U. and U. Becker: Orientation and alignment generated from photoionization of closed-shell cations. Journal of Electron Spectroscopy and Related Phenomena 142 (1), 45–58 (2005).

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Kleimenov, E., H. Bluhm, M. Hävecker, A. Knop-Gericke, A.N. Pestryakov, D. Teschner, J.A. Lopez-Sanchez, J.K. Bartley, G.J. Hutchings and R. Schlögl: XPS investigation of VPO catalysts under reaction conditions. Surface Science 575 (1-2), 181–188 (2005).

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Kleinpoppen, H., B. Lohmann, A.N. Grum-Grzhimailo and U. Becker: Approaches to Perfect/Complete Scattering Experiments in Atomic and Molecular Physics. Advances in Atomic, Molecular, and Optical Physics 51, 471–534 (2005).

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Journal Article

Klose, B.S., F.C. Jentoft and R. Schlögl: In Situ Diffuse Reflectance IR Spectroscopic Investigation of Promoted Sulfated Zirconia Catalysts during n-Butane Isomerization. Journal of Catalysis 233, 68–80 (2005).

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Klose, B.S., F.C. Jentoft, R. Schlögl, I.R. Subbotina and V.B. Kazansky: Effect of Mn and Fe on the reactivity of sulfated zirconia toward H₂ and n-butane: A diffuse reflectance IR spectroscopic investigation. Langmuir 21 (23), 10564–10572 (2005).

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Klüner, T.: Laser-induced desorption of small molecules from oxide surfaces: A first-principles study. Israel Journal of Chemistry 45 (1-2), 77–95 (2005).

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Kniep, B.-L., F. Girgsdies and T. Ressler: Effect of precipitate ageing on the microstructural characteristics of Cu/ZnO catalysts for methanol steam reforming. Journal of Catalysis 236 (1), 34–44 (2005).

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Kolczewski, C. and K. Hermann: Ab initio DFT studies of oxygen K edge NEXAFS spectra for the V₂O₃(0001) surface. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 114 (1-3), 60–67 (2005).

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Journal Article

Kolczewski, C. and K. Hermann: Oxygen 1s NEXAFS spectra of the V₂O₅(010) surface theoretical studies using ab initio DFT cluster models. Physica Scripta T115, 128–130 (2005).

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Kondratenko, E.V., M. Cherian, M. Baerns, D.S. Su, R. Schlögl, X. Wang and I.E. Wachs: Oxidative dehydrogenation of propane over V/MCM-41 catalysts: Comparison of O₂ and N₂O as oxidant. Journal of Catalysis 234 (1), 131–142 (2005).

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Korica, S., D. Rolles, A. Reinköster, B. Langer, J. Viefhaus, S. Cvejanovic and U. Becker: Partial cross sections and angular distributions of resonant and nonresonant valence photoemission of C₆₀. Physical Review A 71, 013203–1-013203–5 (2005).

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Kröner, D., I. Mehdaoui, H.-J. Freund and T. Klüner: Three-dimensional ab initio simulation of laser-induced desorption of NO from NiO(100). Chemical Physics Letters 415 (1-3), 150–154 (2005).

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Kulawik, M., H.-P. Rust, M. Heyde, N. Nilius, B.A. Mantooth, P.S. Weiss and H.-J. Freund: Interaction of CO molecules with surface state electrons on Ag(111). Surface Science 590 (2-3), L253–L258 (2005).

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Kulawik, M., H.-P. Rust, N. Nilius, M. Heyde and H.-J. Freund: STM studies of ordered (√31x √31)R9° CO islands on Ag(111). Physical Review B 71 (15), 153405–1-153405–4 (2005).

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Laurin, M., V. Johánek, A.W. Grant, B. Kasemo, J. Libuda and H.-J. Freund: Transient and steady state CO oxidation kinetics on nanolithographically prepared supported Pd model catalysts: Experiments and simulations. Journal of Chemical Physics 123 (05), 054701–1-054701–12 (2005).

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