Publications

Journal Article

Lorenz, S., A. Groß and M. Scheffler: Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks. Chemical Physics Letters 395 (4-6), 210–215 (2004).

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Löser, H., D. Fick and H.J. Jänsch: High-temperature diffusion of lithium adsorbed on Ru(001). Journal of Physical Chemistry B 108 (38), 14440–14445 (2004).

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Lu, Y., Z.P. Zhu, D.S. Su, D. Wang, Z.Y. Liu and R. Schlögl: Formation of bamboo-shaped carbon nanotubes by controlled rapid decomposition of picric acid. Carbon 42 (15), 3199–3207 (2004).

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Journal Article

Lundgren, E., J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, M. Todorova, J. Rogal, K. Reuter and M. Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures. Physical Review Letters 92, 046101–1-046101–4 (2004).

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Journal Article

Lymperakis, L., J. Neugebauer, M. Albrecht, T. Remmele and H.P. Strunk: Strain induced deep electronic states around threading dislocations in GaN. Physical Review Letters 93 (19), 196401 (2004).

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Magg, N., J.B. Giorgi, M.M. Frank, B. Immaraporn, T. Schroeder, M. Bäumer and H.-J. Freund: Alumina-supported vanadium nanoparticles: structural characterization and CO adsorption properties. Journal of the American Chemical Society 126 (11), 3616–3626 (2004).

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Magg, N., B. Immaraporn, J.B. Giorgi, T. Schroeder, M. Bäumer, J. Döbler, Z. Wu, E. Kondratenko, M. Cherian, M. Baerns, P.C. Stair, J. Sauer and H.-J. Freund: Vibrational spectra of alumina- and silica-supported vanadia revisited: An experimental and theoretical model catalyst study. Journal of Catalysis 226 (1), 88–100 (2004).

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Journal Article

Márquez, J., P. Kratzer and K. Jacobi: Structure and morphology of the As-rich and the stoichiometric GaAs(114)A surface. Journal of Applied Physics 95 (12), 7645–7654 (2004).

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Meyer, R.J., C. Lemire, S.K. Shaikhutdinov and H.-J. Freund: Surface chemistry of catalysis by gold. Gold Bulletin 37 (1-2), 72–124 (2004).

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Meyer, R.J., S.K. Shaikhutdinov and H.-J. Freund: CO oxidation on a Pd/Fe₃O₄(111) model catalyst. Zeitschrift für Physikalische Chemie 218 (8), 905–914 (2004).

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Mikhailov, A.S., D.H. Zanette, Y. Zhai, I.Z. Kiss and J.L. Hudson: Cooperative action of coherent groups in broadly heterogeneous populations of interacting chemical oscillators. Proceedings of the National Academic Society 101 (30), 10890–10894 (2004).

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Journal Article

Miners, J.H., P. Gardner, A.M. Bradshaw and D.P. Woodruff: A CO₂ Surface Molecular Precursor during CO Oxidation over Pt{100}. Journal of Physical Chemistry B 108 (38), 14270–14275 (2004).

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Miners, J.H., P. Gardner, A.M. Bradshaw and D.P. Woodruff: A real-time vibrational spectroscopic investigation of the low-temperature oscillatory regime of the reaction of NO with CO on Pt{100}. Journal of Physical Chemistry B 108 (5), 1708–1718 (2004).

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Moore, D.T., J. Oomens, J.R. Eyler, G. Meijer, G.von Helden and D.P. Ridge: Gas-Phase IR Spectroscopy of Anionic Iron Carbonyl Clusters. Journal of the American Chemical Society 126 (45), 14726–14727 (2004).

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Moore, D.T., J. Oomens, L. van der Meer, G.von Helden, G. Meijer, J. Valle, A.G. Marshall and J.R. Eyler: Probing the vibrations of shared, OH⁺ O-bound protons in the gas phase. ChemPhysChem 5 (5), 740–743 (2004).

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Morales, F., F.M.F. de Groot, P. Glatzel, E. Kleimenov, H. Bluhm, M. Hävecker, A. Knop-Gericke and B.M. Weckhuysen: In situ x-ray absorption of Co/Mn/TiO₂ catalysts for Fischer-Tropsch synthesis. Journal of Physical Chemistry B 108 (41), 16201–16207 (2004).

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Morkel, M., V.V. Kaichev, G. Rupprechter, H.-J. Freund, I.P. Prosvirin and V.I. Bukhtiyarov: Methanol dehydrogenation and formation of carbonaceous overlayers on Pd(111) studied by high-pressure SFG and XPS spectroscopy. The Journal of Physical Chemistry B 108 (34), 12955–12961 (2004).

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Najbar, M., F. Mizukami, P. Kornelak, A. Wesełucha-Birczyńska, B. Borzęcka-Prokop, E. Bielańska, A. Białas, J. Banaś and D.S. Su: Studies of Processes Occuring during Alkoxide Derived V-O-W Unsupported Catalyst Formation. Catalysis Today 90 (1-2), 93–102 (2004).

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Abstr

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Nee, M.J., A. Osterwalder, D.M. Neumark, C. Kaposta, C.C. Uhalte, T. Xie, A. Kaledin, J.M. Bowman, S. Carter and K.R. Asmis: Experimental and theoretical study of the infrared spectra of BrHI^- and BrDI^-. Journal of Chemical Physics 121 (15), 7259–7268 (2004).

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Niederberger, M., G. Garnweitner, N. Pinna and M. Antonietti: Nonaqueous and Halide-Free Route to Crystalline BaTiO₃ , SrTiO₃ and (Ba,Sr)TiO₃ Nanoparticles via a Mechanism Involving a C-C Bond Formation. Journal of the American Chemical Society 126 (29), 9120–9126 (2004).

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Niederberger, M., N. Pinna, J. Polleux and M. Antonietti: A General Soft Chemistry Route to Perovskites and Related Materials: Synthesis of BaTiO₃ BaZrO₃ and LiNbO₃ Nanoparticles. Angewandte Chemie International Edition 43 (17), 2270–2273 (2004).

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Nilius, N., M. Kulawik, H.-P. Rust and H.-J. Freund: Quantization of electronic states in individual oxide-supported silver particles. Surface science 572 (2-3), 347–354 (2004).

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Nilius, N., M. Kulawik, H.-P. Rust and H.-J. Freund: Defect-induced gap states in Al₂O₃ thin films on NiAl(110). Physical Review B 69, 121401–1-121401–4 (2004).

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Nilius, N., T.M. Wallis and W. Ho: Building alloys from single atoms: Au–Pd chains on NiAl(110). Journal of Physical Chemistry B 108 (38), 14616–14619 (2004).

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O'Keeffe, P., S. Aloïse, S. Fritzsche, B. Lohmann, U. Kleiman, M. Meyer and A.N. Grum-Grzhimailo: Resonant Auger decay of Xe* 4d_5/2^-16p: A contribution to the complete experiment from fluorescence polarization studies. Physical Review A 70 (1), 012705 (2004).

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Journal Article

Okotrub, A.V., N. Maksimova, T.A. Duda, A.G. Kudashov, Y.V. Shubin, D.S. Su, E.M. Pazhetnov, A.I. Boronin and L.G. Bulusheva: Fluorination of CNx Nanotubes. Fullerenes, Nanotubes, and Carbon Nanostructures 12 (1-2), 99–104 (2004).

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Journal Article

Oomens, J., G.von Helden and G. Meijer: Infrared Photodissociation Spectroscopy of the Benzoic Acid Radical Cation in a Quadrupole Trap. Journal of Physical Chemistry A 108 (40), 8273–8278 (2004).

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Journal Article

Oomens, J., D.T. Moore, G.von Helden, G. Meijer and R.C. Dunbar: The site of Cr⁺ attachment to gas-phase aniline from infrared spectroscopy. Journal of the American Chemical Society 126 (3), 724–725 (2004).

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Oomens, J., D.T. Moore, G. Meijer and G.von Helden: Infrared multiple photon dynamics and spectroscopy of cationic PABA and its dehydroxylated fragment ion. Physical Chemistry Chemical Physics 6 (4), 710–718 (2004).

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Ozensoy, E., C. Hess and D.W. Goodman: Understanding the catalytic conversion of automobile exhaust emissions using model catalysts: CO + NO reaction on Pd(111). Topics in Catalysis 28 (1), 13–23 (2004).

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Pacchioni, G., C. Di Valentin, D. Dominguez-Ariza, F. Illas, T. Bredow, T. Klüner and V. Staemmler: Bonding of NH₃, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory. Journal of Physics: Condensed Matter 16 (26), S2497–S2507 (2004).

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Paggel, J.J., W. Mannstadt, C. Weindel, M. Hasselblatt, K. Horn and D. Fick: Influence of bulk doping type on the Li adsorption site on Si(111)-(1x1): H. Physical Review B 69 (3), 035310 (2004).

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Pascual, J.I., J.V. Barth, G. Ceballos, G. Trimarchi, A. De Vita, K. Kern and H.-P. Rust: Mesoscopic chiral reshaping of the Ag(110) surface induced by the organic molecule PVBA. Journal of Chemical Physics 120 (24), 11367–11370 (2004).

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Pascual, J.I., G. Bihlmayer, Y.M. Koroteev, H.-P. Rust, G. Ceballos, M. Hansmann, K. Horn, E.V. Chulkov, S. Blügel, P.M. Echenique and P. Hofmann: Role of spin in quasiparticle interference. Physical Review Letters 93 (19), 196802 (2004).

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Journal Article

Paulus, U.A., Y. Wang, H.P. Bonzel, K. Jacobi and G. Ertl: Adsorption of ethylene on stoichiometric RuO₂(110). Surface Science 566-568 (2), 989–994 (2004).

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Journal Article

Paulus, U.A., Y. Wang, S.H. Kim, P. Geng, J. Wintterlin, K. Jacobi and G. Ertl: Inhibition of CO oxidation on RuO₂(110) by adsorbed H₂O molecules. Journal of Chemical Physics 121 (22), 11301–11308 (2004).

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Journal Article

Penev, E., P. Kratzer and M. Scheffler: Atomic structure of the GaAs(001)-c(4 x 4) surface: first-principles evidence for diversity of heterodimer motifs. Physical Review Letters 93 (14), 146102–1-146102–4 (2004).

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Journal Article

Penev, E., S. Stojkovic, P. Kratzer and M. Scheffler: Anisotropic diffusion of In adatoms on pseudomorphic In_xGa_1-xAs(001) films: First-principles total energy calculations. Physical Review B 69, 115335–1-115335–10 (2004).

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Journal Article

Penner, S., D. Wang, R. Podloucky, R. Schlögl and K. Hayek: Rh and Pt nanoparticles supported by CeO₂: metal-support interaction upon high-temperature reduction observed by electron microscopy. Physical Chemistry Chemical Physics 6 (22), 5244–5249 (2004).

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Pestryakov, A.N., N.E. Bogdanchikova and A. Knop-Gericke: Alcohol selective oxidation over modified foam-silver catalysts. Catalysis Today 91-92, 49–52 (2004).

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Pestryakov, A.N., V.P. Petranovskii, A. Kryazhov, O. Ozhereliev, N. Pfänder and A. Knop-Gericke: Study of copper nanoparticles formation on supports of different nature by UV-visible diffuse reflectance spectroscopy. Chemical Physics Letters 385 (3-4), 173–176 (2004).

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Pettinger, B., B. Ren, G. Picardi, R. Schuster and G. Ertl: Nanoscale probing of adsorbed species by tip-enhanced Raman spectroscopy. Physical Review Letters 92 (09), 096101–1-096101–4 (2004).

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Plenge, F., Y.-J. Li and K. Krischer: Spatial bifurcations in the generic N-NDR electrochemical oscillator with negative global coupling: Theory and surface plasmon experiments. Journal of Physical Chemistry B 108 (38), 14255–14264 (2004).

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Polcik, M., F. Allegretti, D.I. Sayago, G. Nisbet, C.L.A. Lamont and D.P. Woodruff: Circular Dichroism in Core Level Photoemission from an Adsorbed Chiral Molecule. Physical Review Letters 92, 236103 (2004).

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Polcik, M., M. Kittel, J.T. Hoeft, R. Terborg, R.L. Toomes and D.P. Woodruff: Adsorption geometry of CN on Cu(1 1 1) and Cu(1 1 1)/O. Surface Science 563 (1-3), 159–168 (2004).

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Polleux, J., N. Pinna, M. Antonietti and M. Niederberger: Ligand-Directed Assembly of Preformed Titania Nanocrystals into Highly Anisotropic Nanostructures. Advanced Materials 16 (5), 436–439 (2004).

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Prümper, G., J. Viefhaus, S. Cvejanovic, D. Rolles, O. Geßner, T. Lischke, R. Hentges, C. Wienberg, W. Mahler, U. Becker, B. Langer, T. Prosperi, N. Zema, S. Turchini, B. Zada and F. Senf: Upper limits for stereoselective photodissociation of free amino acids in the vacuum ultraviolet region and at the C 1s edge. Physical Review A 69 (6), 062717 (2004).

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Punckt, C., M. Bölscher, H.H. Rotermund, A.S. Mikhailov, L. Organ, N. Budiansky, J.R. Scully and J.L. Hudson: Sudden onset of pitting corrosion on stainless steel as a critical phenomenon. Science 305 (5687), 1133–1136 (2004).

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Purnama, H., F. Girgsdies, T. Ressler, J.H. Schattka, R.A. Caruso, R. Schomäcker and R. Schlögl: Activity and Selectivity of a Nanostructured CuO/ZrO₂ Catalyst in the Steam Reforming of Methanol. Catalysis Letters 94 (1-2), 61–68 (2004).

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