Publications by the Fritz Haber Institute (2001-)

Journal Article

Allegretti, F., S. O’Brien, M. Polcik, D.I. Sayago and D.P. Woodruff: Adsorption bond length for H₂O on TiO₂(110): A key parameter for theoretical understanding. Physical Review Letters 95 (22), 226104 (2005).

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Allegretti, F., M. Polcik, D.I. Sayago, F. Demirors, S. O’Brien, G. Nisbet, C.L.A. Lamont and D.P. Woodruff: Can circular dichroism in core-level photoemission provide a spectral fingerprint of adsorbed chiral molecules? New Journal of Physics 7, 109 (2005).

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Antony, J., G.von Helden, G. Meijer and B. Schmidt: Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer. The Journal of Chemical Physics 123, 014305–1-014305–11 (2005).

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Arendt, P.: Preparation of highly conducting Ag by spark discharge. European Physical Journal: Applied Physics 30 (1), 41–50 (2005).

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Asmis, K.R., G. Santambrogio, M. Brümmer and J. Sauer: Polyhedral Vanadium Oxide Cages: Infrared Spectra of Cluster Anions and Size-Induced d Electron Localization. Angewandte Chemie International Edition 44 (20), 3122–3125 (2005).

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Babu, S.M., A. Meeder, D. Fuertes Marron, T. Schedel-Niedrig, M. Hävecker, A. Knop-Gericke and M.C. Lux-Steiner: Thermal stability and environmental effects on CuGaSe₂ thin film solar cells. Journal of Crystal Growth 275 (1-2), 1235–1240 (2005).

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Bagus, P.S., K. Hermann and C. Wöll: The interaction of C₆H₆ and C₆H₁₂ with noble metal surfaces: Electronic level alignment and the origin of the interface dipole. The Journal of Chemical Physics 123 (18), 184109 (2005).

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Bakker, J.M., C. Plützer, I. Hünig, T. Häber, I. Compagnon, G.von Helden, G. Meijer and K. Kleinermanns: Folding Structures of Isolated Peptides as Revealed by Gas-Phase Mid-Infrared Spectroscopy. ChemPhysChem 6 (1), 120–128 (2005).

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Behler, J., B. Delley, S. Lorenz, K. Reuter and M. Scheffler: Dissociation of O₂ at Al(111): The role of spin selection rules. Physical Review Letters 94 (3), 036104 (2005).

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Benten, W., N. Nilius, N. Ernst and H.-J. Freund: Photon emission spectroscopy of single oxide-supported Ag-Au alloy clusters. Physical Review B 72 (04), 045403–1-045403–7 (2005).

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Berger, T., M. Sterrer, O. Diwald and E. Knözinger: Charge trapping and photoadsorption of O₂ on dehydroxylated TiO₂ nanocrystals - An electron paramagnetic resonance study. ChemPhysChem 6 (10), 2104–2112 (2005).

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Berger, T., M. Sterrer, S. Stankic, J. Bernardi, O. Diwald and E. Knözinger: Trapping of photogenerated charges in oxide nanoparticles. Materials Science and Engineering C 25 (5-8), 664–668 (2005).

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Blanco, J.M., C. González, P. Jelínek, J. Ortega, F. Flores, R. Pérez, M. Rose, M. Salmeron, J. Méndez, J. Wintterlin and G. Ertl: Origin of contrast in STM images of oxygen on Pd(111) and its dependence on tip structure and tunneling parameters. Physical Review B 71 (11), 113402–1-113402–4 (2005).

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Blume, R., H. Niehus, H. Conrad, A. Böttcher, L. Aballe, L. Gregoratti, A. Barinow and M. Kiskinova: Identification of Subsurface Oxygen Species Created during Oxidation of Ru(0001). Journal of Physical Chemistry B 109 (29), 14052–14058 (2005).

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Bonnefont, A., H. Varela and K. Krischer: Stationary spatial patterns during bulk CO electrooxidation on platinum. Journal of Physical Chemistry B 109 (8), 3408–3415 (2005).

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Borasio, M., O.R. de la Fuente, G. Rupprechter and H.-J. Freund: In situ studies of methanol decomposition and oxidation on Pd(111) by PM-IRAS and XPS spectroscopy. The Journal of Physical Chemistry B 109 (38), 17791–17794 (2005).

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Borg, M., C. Stampfl, A. Mikkelsen, J. Gustafson, E. Lundgren, M. Scheffler and J.N. Andersen: Density of configurational states from first-principles calculations: The phase diagram of Al-Na surface alloys. ChemPhysChem 6 (9), 1923–1928 (2005).

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Journal Article

Bron, M., D. Teschner, A. Knop-Gericke, A. Scheybal, B. Steinhauer, M. Hävecker, R. Födisch, R. Hönicke, R. Schlögl and P. Claus: In situ-XAS and catalytic study of acrolein hydrogenation over silver catalyst: Control of intramolecular selectivity by the pressure. Catalysis Communications 6 (5), 371–374 (2005).

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Journal Article

Bron, M., D. Teschner, A. Knop-Gericke, B. Steinhauer, A. Scheybal, M. Hävecker, D. Wang, R. Födisch, R. Hönicke, A. Wootsch, R. Schlögl and P. Claus: Bridging the pressure and materials gap: in-depth characterisation and reaction studies of silver-catalysed acrolein hydrogenation. Journal of Catalysis 234, 37–47 (2005).

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Journal Article

Brückner, A., U. Bentrup, M. Fait and B. Kubias: Structure-reactivity relationships in supported VOx catalysts for the oxyhydrative scission (OHS) of 1-butene and n-butane to acetic acid: A comprehensive catalytic and in situ study. Catalysis Today 99 (1-2), 123–129 (2005).

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Journal Article

Casagrande, V. and A.S. Mikhailov: Birhythmicity, synchronization, and turbulence in an oscillatory system with nonlocal inertial coupling. Physica D 205 (1-4), 154–169 (2005).

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Casaletto, M.P., M. Carbone, M.N. Piancastelli, K. Horn, K. Weiß and R. Zanoni: A high resolution photoemission study of phenol adsorption on Si(1 0 0)2 × 1. Surface Science 582 (1-3), 42–48 (2005).

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Journal Article

Chen, C.H., L. Aballe, R. Klauser, T.U. Kampen and K. Horn: Valence band discontinuity at the GaN/SiC(0001) heterojunction studied in situ by synchrotron-radiation photoelectron spectroscopy. Journal of Electron Spectroscopy and Related Phenomena 144-147, 425–428 (2005).

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Chin, W., I. Compagnon, J.-P. Dognon, C. Canuel, F. Piuzzi, I. Dimicoli, G.von Helden, G. Meijer and M. Mons: Spectroscopic Evidence for Gas-Phase Formation of Successive β-Turns in a Three-Residue Peptide Chain. Journal of the American Chemical Society 127 (5), 1388–1389 (2005).

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Chin, W., J.-P. Dognon, C. Canuel, F. Piuzzi, I. Dimicoli, M. Mons, I. Compagnon, G.von Helden and G. Meijer: Secondary structures of short peptide chains in the gas phase: Double resonance spectroscopy of protected dipeptides. The Journal of Chemical Physics 122, 054317–1-054317–8 (2005).

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Chin, W., M. Mons, J.-P. Dognon, R. Mirasol, G. Chass, I. Dimicoli, F. Piuzzi, P. Butz, B. Tardivel, I. Compagnon, G.von Helden and G. Meijer: The Gas-Phase Dipeptide Analogue Acetyl-phenylalanyl-amide: A Model for the Study of Side Chain/Backbone Interactions in Proteins. Journal of Physical Chemistry A 109 (24), 5281–5288 (2005).

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Compagnon, I., J. Oomens, J.M. Bakker, G. Meijer and G.von Helden: Vibrational spectroscopy of a non-aromatic amino acid-based model peptide: identification of the γ-turn motif of the peptide backbone. Physical Chemistry Chemical Physics 7 (1), 13–15 (2005).

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Journal Article

Cörper, A., G. Bozdech, N. Ernst, T. Klüner and H.-J. Freund: Field electron energy spectroscopy of alumina-supported platinum adatoms. Physica Status Solidi B 242 (12), 2462–2467 (2005).

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Couderc-Azouani, S., J. Sidhu, T. Thurn, R. Xu, D.M. Bloor, J. Penfold, J.F. Holzwarth and E. Wyn-Jones: Binding of sodium dodecyl sulfate and hexaethylene glycol mono-n-dodecyl ether to the block copolymer L64: Electromotive force, microcalorimetry, surface tension, and small angle neutron scattering investigations of mixed micelles and polymer/micellar surfactant complexes. Langmuir 21 (22), 10197–10208 (2005).

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Da Silva, J.L.F., C. Stampfl and M. Scheffler: Xe adsorption on metal surfaces: First-principles investigations. Physical Review B 72 (7), 075424 (2005).

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Davidsen, J., A. Mikhailov and R. Kapral: Front explosion in a periodically forced surface reaction. Physical Review E 72 (04), 046214–1-046214–7 (2005).

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de Groot, F.M.F., P. Glatzel, U. Bergmann, P.A. van Aken, R.A. Barrea, S. Klemme, M. Hävecker, A. Knop-Gericke, W.M. Heijboer and B.M. Weckhuysen: 1s2p resonant inelastic x-ray scattering of iron oxides. Journal of Physical Chemistry B 109 (44), 20751–20762 (2005).

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Demoulin, O., G. Rupprechter, I. Seunier, B. Le Clef, M. Navez and P. Ruiz: Investigation of parameters influencing the activation of a Pd/gamma-alumina catalyst during methane combustion. The Journal of Physical Chemistry B 109 (43), 20454–20462 (2005).

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Journal Article

Dong, W.-S., J.K. Bartley, N.F. Dummer, F. Girgsdies, D. Su, R. Schlögl, J.-C. Volta and G.J. Hutchings: Reaction of vanadium phosphates with alcohols at elevated temperature and pressure. Journal of Materials Chemistry 15 (31), 3214–3220 (2005).

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Journal Article

Dong, W.-S., J.K. Bartley, F. Girgsdies, R. Schlögl and G.J. Hutchings: The hydration and transformation of vanadyl pyrophosphate. Journal of Materials Chemistry 15 (38), 4147–4153 (2005).

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Journal Article

Doyle, A.M., S.K. Shaikhutdinov and H.-J. Freund: Oberflächengebundene Intermediate verursachen Teilchengrößeneinflüsse bei der Hydrierung von Alkenen auf Palladium. Angewandte Chemie 117 (4), 635–637 (2005).

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Doyle, A.M., S.K. Shaikhutdinov and H.-J. Freund: Surface-bonded precursor determines particle size effects for alkene hydrogenation on palladium. Angewandte Chemie International Edition 44 (4), 629–631 (2005).

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Journal Article

Erdmann, U., W. Ebeling and A.S. Mikhailov: Noise-induced transition from translational to rotational motion of swarms. Physical Review E 71, 051904–1-051904–7 (2005).

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Journal Article

Erlekam, U., U.A. Paulus, Y. Wang, H.P. Bonzel, K. Jacobi and G. Ertl: Adsorption of methane and ethane on RuO₂(110) surfaces. Zeitschrift für Physikalische Chemie 219 (7), 891–903 (2005).

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Ertl, G.: Preface – Dedicated to Prof. Dr. Helmut Knözinger on the occasion of his 70th birthday. Zeitschrift für Physikalische Chemie 219 (7), 875–876 (2005).

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Ertl, G.: Activation of diatomic molecules at solid surfaces. Philosophical Transactions of the Royal Society A 363 (1829), 955–958 (2005).

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Journal Article

Evers, F., C. Rakete, K. Watanabe, D. Menzel and H.-J. Freund: Two-photon photoemission from silver nanoparticles on thin alumina films: Role of plasmon excitation. Surface Science 593 (1-3), 43–48 (2005).

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Journal Article

Faradzhev, N.S., K.L. Kostov, P. Feulner, T.E. Madey and D. Menzel: Stability of water monolayers on Ru(0001): Thermal and electronically induced dissociation. Chemical Physics Letters 415 (1-3), 165–171 (2005).

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Fielicke, A., G.von Helden and G. Meijer: Far-Infrared spectroscopy of isolated transition metal clusters. The European Physical Journal D 34 (1-3), 83–88 (2005).

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Fielicke, A., G.von Helden, G. Meijer, D.B.. Pedersen, B. Simard and D.M. Rayner: Gold Cluster Carbonyls: Saturated Adsorption of CO on Gold Cluster Cations, Vibrational Spectroscopy, and Implications for Their Structures. Journal of the American Chemical Society 127 (23), 8416–8423 (2005).

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Fielicke, A., G.von Helden, G. Meijer, B. Simard and D.M. Rayner: Gold cluster carbonyls: Vibrational spectroscopy of the anions and the effects of cluster size, charge and coverage on the CO stretching frequency. Journal of Physical Chemistry B 109 (50), 23935–23940 (2005).

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Fielicke, A., G.von Helden, G. Meijer, B. Simard and D.M. Rayner: Direct Observation of size Dependent Activation of NO on Gold Clusters. Physical Chemistry Chemical Physics 7 (23), 3906–3909 (2005).

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Fielicke, A., C. Ratsch, G.von Helden and G. Meijer: Isomer selective infrared spectroscopy of neutral metal clusters. The Journal of Chemical Physics 122, 091105–1-091105–4 (2005).

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Journal Article

Fonin, M., R. Pentcheva, Y.S. Dedkov, M. Sperlich, D.V. Vyalikh, M. Scheffler, U. Rüdiger and G. Güntherodt: Surface electronic structure of the Fe₃O₄(100): Evidence of a half-metal to metal transition. Physical Review B 72 (10), 104436 (2005).

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