Publications | Fritz Haber Institute of the Max Planck Society

Fritz Haber Institute of the Max Planck Society

Journal Article (245)

2009

Journal Article

Filsinger, F., J. Küpper, G. Meijer, L. Holmegaard, J.H. Nielsen, I. Nevo, J.L. Hansen and H. Stapelfeldt: Quantum state selection, alignment, and orientation of large molecules using static electric and laser fi elds. Journal of Chemical Physics 131 (6), 064309–1-064309–13 (2009).

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Frank, B., R. Fortrie, C. Hess, R. Schlögl and R. Schomäcker: Reoxidation dynamics of highly dispersed VO_x species supported on γ-alumina. Applied Catalysis A 353 (2), 288–295 (2009).

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Frank, B., J. Zhang, R. Blume, R. Schlögl and D.S. Su: Heteroatoms Increase the Selectivity in Oxidative Dehydrogenation Reactions on Nanocarbons. Angewandte Chemie International Edition 48 (37), 6913–6917 (2009).

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Frank, B., J. Zhang, R. Blume, R. Schlögl and D.S. Su: Heteroatome steigern die Selektivität der oxidativen Dehydrierung an Nanokohlenstoff. Angewandte Chemie 121 (37), 7046–7051 (2009).

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Freysoldt, C., P. Rinke and M. Scheffler: Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films. Physical Review Letters 103 (5), 056803–1-056803–4 (2009).

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Friedrich, B.: Bose–Einstein condensates: BECs from the fridge. Nature Physics 5, 712–714 (2009).

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Friedrich, B.: A fridge instead of a laser: an alternate route to BEC. Československý Časopis pro Fyziku 59 (6), 354–356 (2009).

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Friedrich, B. and J.M. Doyle: Why Are Cold Molecules So Hot? ChemPhysChem 10 (4), 604–623 (2009).

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Froltsov, V.A. and K. Reuter: Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters. Chemical Physics Letters 473, 363–366 (2009).

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Gajović, A., A. Šantić, I. Djerdj, N. Tomašić, A. Moguš-Milanković and D.S. Su: Structure and electrical conductivity of porous zirconium titanate ceramics produced by mechanochemical treatment and sintering. Journal of Alloys and Compounds 479 (1-2), 525–531 (2009).

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Gangeri, M., S. Perathoner, S. Caudo, G. Centi, J. Amadou, D. Bégin, C. Pham-Huu, M.J. Ledoux, J.-P. Tessonnier, D.S. Su and R. Schlögl: Fe and Pt carbon nanotubes for the electrocatalytic conversion of carbon dioxide to oxygenates. Catalysis Today 143 (1-2), 57–63 (2009).

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Gehrke, R., P. Gruene, A. Fielicke, G. Meijer and K. Reuter: Nature of Ar bonding to small Co⁺_n clusters and its effect on the structure determination by far-infrared absorption spectroscopy. Journal of Chemical Physics 130 (3), 034306 (2009).

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Gehrke, R. and K. Reuter: Assessing the efficiency of first-principles basin-hopping sampling. Physical Review B 79 (8), 085412–1-085412–10 (2009).

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Geske, M., K. Pelzer, R. Horn, F.C. Jentoft and R. Schlögl: In-Situ Investigation of Gas Phase Radical Chemistry in the Catalytic Partial Oxidation of Methane on Pt. Catalysis Today 142 (1-2), 61–69 (2009).

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Gil, S., Y. Kuramoto and A.S. Mikhailov: Common noise induces clustering in populations of globally coupled oscillators. Europhysics Letters 88 (6), 60005–1-60005–5 (2009).

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Gil, S. and A.S. Mikhailov: Networks on the edge of chaos: Global feedback control of turbulence in oscillator networks. Physical Review E 79 (2), 026219 (2009).

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Girgsdies, F., M. Schneider, A. Brückner, T. Ressler and R. Schlögl: The crystal structure of δ-VOPO₄ and its relationship to ω-VOPO₄. Solid State Sciences 11, 1258–1264 (2009).

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Göbke, D., Y. Romanyshyn, S. Guimond, J.M. Sturm, H. Kuhlenbeck, J. Döbler, U. Reinhardt, M.V. Ganduglia-Pirovano, J. Sauer and H.-J. Freund: Formaldehydbildung auf den Vanadiumoxidoberflächen V₂O₃(0001) und V₂O₅(001): Wie bildet sich der stabile Methoxy-Zwischenzustand? Angewandte Chemie 121 (20), 3750–3753 (2009).

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Göbke, D., Y. Romanyshyn, S. Guimond, J.M. Sturm, H. Kuhlenbeck, J. Döbler, U. Reinhardt, M.V. Ganduglia-Pirovano, J. Sauer and H.-J. Freund: Formaldehyde formation on vandadium oxide surfaces V₂O₃(0001) and V₂O₅(001): How does the stable methoxy intermediate form? Angewandte Chemie International Edition 48 (20), 3695–3698 (2009).

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Goebbert, D.J., E. Garand, T. Wende, R. Bergmann, G. Meijer, K.R. Asmis and D. Neumark: Infrared Spectroscopy of the Microhydrated Nitrate Ions NO₃¯(H₂O)_1-6. The Journal of Physical Chemistry A 113 (26), 7584–7592 (2009).

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Goebbert, D., T. Wende, R. Bergmann, G. Meijer and K.R. Asmis: Messenger-tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions. The Journal of Physical Chemistry A 113 (20), 5874–5880 (2009).

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Grüneis, A., C. Attaccalite, A. Rubio, D.V. Vyalikh, S.L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner and T. Pichler: Angle-resolved photoemission study of the graphite intercalation compound KC₈: A key to graphene. Physical Review B 80 (7), 075431–1-075431–5 (2009).

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Grüneis, A., J. Serrano, A. Bosak, M. Lazzeri, S.L. Molodtsov, L. Wirtz, C. Attaccalite, M. Krisch, A. Rubio, F. Mauri and T. Pichler: Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions. Physical Review B 80 (8), 085423–1-085423–5 (2009).

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Güçlü, A.D., C.J. Umrigar, H. Jiang and H.U. Baranger: Localization in an inhomogeneous quantum wire. Physical Review B 80 (20), 201302(R)-1–201302(R)-4 (2009).

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Gundlach, L., T. Letzig and F. Willig: Test of theoretical models for ultrafast heterogeneous electron transfer with femtosecond two-photon photoemission data. Journal of Chemical Sciences 121 (5), 561–574 (2009).

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Gutel, T., C.C. Santini, K. Philippot, A. Padua, K. Pelzer, B. Chaudret, Y. Chauvin and J.-M. Basset: Organized 3D-alkyl imidazolium ionic liquids could be used to control the size of in situ generated ruthenium nanoparticles? Journal of Materials Chemistry 19 (22), 3624–3631 (2009).

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Győrffy, N., I. Bakos, S. Szabó, L. Tóth, U. Wild, R. Schlögl and Z. Paál: Preparation, characterization and catalytic testing of GePt catalysts. Journal of Catalysis 263, 372–379 (2009).

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Habel, D., O. Görke, M. Tovar, M.G. Willinger, M. Ziemann, O. Schwarz, R. Schomäcker and H. Schubert: Microstraining in titania-, alumina- and silica-supported V₂O₅-catalysts. Journal of the European Ceramic Society 29 (6), 1093–1099 (2009).

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Hävecker, M., M. Cavalleri, R. Herbert, R. Follath, A. Knop-Gericke, C. Hess, K. Hermann and R. Schlögl: Methodology for the structural characterisation of V_xO_y species supported on silica under reaction conditions by means of in situ O K-edge X-ray absorption spectroscopy. Physica Status Solidi B 246 (7), 1459–1469 (2009).

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Havu, V., V. Blum, P. Havu and M. Scheffler: Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. Journal of Computational Physics 228 (22), 8367–8370 (2009).

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Heiner, C., H.L. Bethlem and G. Meijer: A synchrotron for neutral molecules. Chemical Physics Letters 473 (1-3), 1–9 (2009).

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Hejduk, P., M. Witko and K. Hermann: Electronic structure of unsaturated V₂O₅(001) and (100) surfaces: Ab initio density functional theory studies. Topics in Catalysis 52 (8), 1105–1115 (2009).

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Helbig, N., I.V. Tokatly and A. Rubio: Exact Kohn-Sham potential of strongly correlated finite systems. The Journal of Chemical Physics 131 (22), 224105 (2009).

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Herbert, R., D. Wang, R. Schomäcker, R. Schlögl and C. Hess: Stabilization of Mesoporous Silica SBA-15 by Surface Functionalization. Chemphyschem 10 (13), 2230–2233 (2009).

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Hofmann, S., R. Blume, C.T. Wirth, M. Cantoro, R. Sharma, C. Ducati, M. Hävecker, S. Zafeiratos, P. Schnörch, A. Oestereich, D. Teschner, M. Albrecht, A. Knop-Gericke, R. Schlögl and J. Robertson: State of Transition Metal Catalysts During Carbon Nanotube Growth. Journal of Physical Chemistry C 113 (5), 1648–1656 (2009).

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Holder, M., Y.S. Dedkov, A. Kade, H. Rosner, W. Schnelle, A. Leithe-Jasper, R. Weihrich and S.L. Molodtsov: Photoemission study of electronic structure of the half-metallic ferromagnet Co₃Sn₂S₂. Physical Review B 79 (20), 205116 (2009).

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publisher-version

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Holmegaard, L., J.H. Nielsen, I. Nevo, H. Stapelfeldt, F. Filsinger, J. Küpper and G. Meijer: Laser-Induced Alignment and Orientation of Quantum-State-Selected Large Molecules. Physical Review Letters 102 (2), 023001 (2009).

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Hortamani, M., L. Sandratskii, P. Kratzer and I. Mertig: Searching for Si-based spintronics by first principles calculations. New Journal of Physics 11, 125009–1-125009–23 (2009).

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Hu, Y.-S., X. Liu, J.-O. Müller, R. Schlögl, J. Maier and D.S. Su: Synthesis and Electrode Performance of Nanostructured V₂O₅ by Using a Carbon Tube-in-Tube as a Nanoreactor and an Efficient Mixed-Conducting Network. Angewandte Chemie International Edition 48 (1), 210–214 (2009).

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Hülsen, B., M. Scheffler and P. Kratzer: Structural stability and magnetic and electronic properties of Co₂MnSi(001)/MgO heterostructures: A density-functional theory study. Physical Review Letters 103 (4), 046802 (2009).

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Hülsen, B., M. Scheffler and P. Kratzer: Thermodynamics of the Heusler alloy Co_2-xMn_1+xSi: A combined density functional theory and cluster expansion study. Physical Review B 79 (9), 094407 (2009).

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Humphrey, D.S., G. Cabailh, C.L. Pang, C.A. Muryn, S.A. Cavill, H. Marchetto, A. Potenza, S.S. Dhesi and G. Thornton: Self-assembled metallic nanowires on a dielectric support: Pd on rutile TiO₂(110). Nanoletters 9 (1), 155–159 (2009).

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Iima, M. and A.S. Mikhailov: Propulsion hydrodynamics of a butterfly micro-swimmer. Europhysics Letters 85 (4), 44001 (2009).

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Ireta, J. and M. Scheffler: Density functional theory study of the conformational space of an infinitely long polypeptide chain. Journal of Chemical Physics 131 (8), 085104–1-085104–5 (2009).

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Jacobi, K. and Y. Wang: Interaction of NO with the O-rich RuO₂(110) surface at 300 K. Surface Science 603 (10-12), 1600–1604 (2009).

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Jentoft, F.C.: Ultraviolet–Visible–Near Infrared Spectroscopy in Catalysis: Theory, Experiment, Analysis, and Application under Reaction Conditions. Advances in Catalysis 52, 129–211 (2009).

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Jerratsch, J.-F., N. Nilius, H.-J. Freund, U. Martinez, L. Giordano and G. Pacchioni: Lithium incorporation into a silica thin film: Scanning tunneling microscopy and density functional theory. Physical Review B 80 (24), 245423 (2009).

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Jiang, H., R.I. Gómez-Abal, P. Rinke and M. Scheffler: Localized and itinerant states in lanthanide oxides united by GW @ LDA + U. Physical Review Letters 102 (12), 126403 (2009).

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Kay, J.J., S.Y.T.van de Meerakker, K.E. Strecker and D.W. Chandler: Production of cold ND₃ by kinematic cooling. Faraday Discussions 142, 143–153 (2009).

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Kay, J.J., S.Y.T.van de Meerakker, E. Wade, K.E. Strecker and D.W. Chandler: Differential cross sections for rotational excitation of ND₃ by Ne. Journal of Physical Chemistry A 113 (52), 14800–14806 (2009).

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