Publications by the Fritz Haber Institute (2001-)

Journal Article

Allen, J.W., C.F. Goldsmith and W.H. Green: Automatic estimation of pressure-dependent rate coefficients. Physical Chemistry Chemical Physics 14 (3), 1131–1155 (2012).

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Amakawa, K., S. Wrabetz, J. Kröhnert, G. Tzolova-Müller, R. Schlögl and A. Trunschke: In Situ Generation of Active Sites in Olefin Metathesis. Journal of the American Chemical Society 134 (28), 11462–11473 (2012).

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Amrute, A.P., C. Mondelli, M. Moser, G. Novell-Leruth, N. López, D. Rosenthal, R. Farra, M.E. Schuster, D. Teschner, T. Schmidt and J. Pérez-Ramírez: Performance, structure, and mechanism of CeO₂ in HCl oxidation to Cl₂. Journal of Catalysis 286, 287–297 (2012).

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Andrade, X., J. Alberdi-Rodriguez, D.A. Strubbe, M.J.T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G. Louie, A. Aspuru-Guzik, A. Rubio and M.A.L. Marques: Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project. Journal of Physics: Condensed Matter 24 (23), 233202 (2012).

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Arendt, P.: Nearly Unattenuated Charge Density Wave Transport in a Linear Chain Conductor Fabricated by Spark Discharge. Zeitschrift für Naturforschung Section A 67, 29–38 (2012).

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Arion, T., R. Püttner, C. Lupulescu, R. Ovsyannikov, M. Förstel, G. Öhrwall, A. Lindblad, K. Ueda, S. Svensson, A.M. Bradshaw, W. Eberhardt and U. Hergenhahn: New insight into the Auger decay process in O₂: The coincidence perspective. Journal of Electron Spectroscopy and Related Phenomena 185 (8-9), 234–243 (2012).

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Armbrüster, M., M. Behrens, F. Cinquini, K. Föttinger, Y. Grin, A. Haghofer, B. Klötzer, A. Knop-Gericke, H. Lorenz, A. Ota, S. Penner, J. Prinz, C. Rameshan, Z. Révay, D. Rosenthal, G. Rupprechter, P. Sautet, R. Schlögl, L. Shao, L. Szentmiklósi, D. Teschner, D. Torres, R. Wagner, R. Widmer and G. Wowsnick: How to Control the Selectivity of Palladium-based Catalysts in Hydrogenation Reactions: The Role of Subsurface Chemistry. ChemCatChem 4 (8), 1048–1063 (2012).

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Armbrüster, M., K. Kovnir, M. Friedrich, D. Teschner, G. Wowsnick, M. Hahne, P. Gille, L. Szentmiklósi, M. Feuerbacher, M. Heggen, F. Girgsdies, D. Rosenthal, R. Schlögl and Y. Grin: Al₁₃Fe₄ as a low-cost alternative for palladium in heterogeneous hydrogenation. Nature Materials 11 (8), 690–693 (2012).

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Journal Article

Arrigo, R., M.E. Schuster, S. Wrabetz, F. Girgsdies, J.-P. Tessonnier, G. Centi, S. Perathoner, D.S. Su and R. Schlögl: New Insights from Microcalorimetry on the FeO_x/CNT-Based Electrocatalysts Active in the Conversion of CO₂ to Fuels. ChemSusChem: chemistry & sustainability, energy & materials 5 (3), 577–586 (2012).

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Arrigo, R., S. Wrabetz, M.E. Schuster, D. Wang, A. Villa, D. Rosenthal, F. Girgsdies, G. Weinberg, L. Prati, R. Schlögl and D.S. Su: Tailoring the morphology of Pd nanoparticles on CNTs by nitrogen and oxygen functionalization. Physical Chemistry Chemical Physics 14 (30), 10523–10532 (2012).

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Asmis, K.R.: Structure Characterization of Metal Oxide Clusters by Vibrational Spectroscopy: Possibilities and Prospects. Physical Chemistry Chemical Physics 14 (26), 9270–9281 (2012).

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Asmis, K.R. and D.M. Neumark: Vibrational Spectroscopy of Microhydrated Conjugate Base Anions. Accounts of Chemical Research 45 (1), 43–52 (2012).

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Asmis, K.R., T. Wende, M. Brümmer, O. Gause, G. Santambrogio, E.C. Stanca-Kaposta, J. Döbler, A. Niedziela and J. Sauer: Structural variability in transition metal oxide clusters: gas phase vibrational spectroscopy of V₃O_6-8⁺. Physical Chemistry Chemical Physics 14 (26), 9377–9388 (2012).

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Journal Article

Bagus, P.S., A. Wieckowski and H.-J. Freund: The contribution of lattice strain to core-level binding energy shifts in metal nanoparticles: Generality and origin of the shifts. Computational and theoretical chemistry 987, 22–24 (2012).

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Journal Article

Baldauf, C. and H.-J. Hofmann: Ab initio MO Theory – An Important Tool in Foldamer Research: Prediction of Helices in Oligomers of omega-Amino Acids. Helvetica Chimica Acta 95 (12), 2348–2383 (2012).

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Baltenkov, A.S., U. Becker, S.T. Manson and A.Z. Msezane: Interference in the molecular photoionization and Young's double-slit experiment. Journal of Physics B: Atomic, Molecular and Optical Physics 45 (3), 035202 (2012).

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Journal Article

Bauer, M., R. Schoch, L. Shao, B.S. Zhang, A. Knop-Gericke, M.G. Willinger, R. Schlögl and D. Teschner: Structure–Activity Studies on Highly Active Palladium Hydrogenation Catalysts by X-ray Absorption Spectroscopy. Journal of Physical Chemistry C 116 (42), 22375–22385 (2012).

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Journal Article

Bayer, B., M. Fouquet, R. Blume, C.T. Wirth, R. Weatherup, K. Ogata, A. Knop-Gericke, R. Schlögl, S. Hofmann and J. Robertson: Co-Catalytic Solid-State Reduction Applied to Carbon Nanotube Growth. The Journal of Physical Chemistry C 116 (1), 1107–1113 (2012).

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Journal Article

Beck, B., M. Harth, N. Hamilton, C. Carrero, J. Uhlrich, A. Trunschke, S.K. Shaikhutdinov, H. Schubert, H.-J. Freund, R. Schlögl, J. Sauer and R. Schomäcker: Partial oxidation of ethanol on vanadia catalysts on supporting oxides with different redox properties compared to propane. Journal of Catalysis 296, 120–131 (2012).

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Journal Article

Becker, U.: Saudi University Policy: Meaningful Cooperation. Science 335 (6072), 1041–1041 (2012).

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Beggs, D.M., T.F. Krauss, L. Kuipers and T. Kampfrath: Ultrafast Tilting of the Dispersion of a Photonic Crystal and Adiabatic Spectral Compression of Light Pulses. Physical Review Letters 108 (3), 033902 (2012).

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Journal Article

Beggs, D.M., I.H. Rey, T. Kampfrath, N. Rotenberg, L. Kuipers and T.F. Krauss: Ultrafast Tunable Optical Delay Line Based on Indirect Photonic Transitions. Physical Review Letters 108 (21), 213901 (2012).

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Journal Article

Behafarid, F., L.K. Ono, S. Mostafa, J.R. Croy, G. Shafai, S. Hong, T.S. Rahman, S.R. Bare and B. Roldan Cuenya: Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al₂O₃: size, shape, support, and adsorbate effects. Physical Chemistry Chemical Physics 14 (33), 11766–11779 (2012).

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Journal Article

Behafarid, F. and B. Roldan Cuenya: Nano Pinstripes: TiO₂ Nanostripe Formation by Nanoparticle-Mediated Pinning of Step Edges. The Journal of Physical Chemistry Letters 3 (5), 608–612 (2012).

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Behafarid, F. and B. Roldan Cuenya: Coarsening phenomena of metal nanoparticles and the influence of the support pre-treatment: Pt/TiO₂(110). Surface Science 606 (11-12), 908–918 (2012).

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Journal Article

Behrens, M., F. Studt, I. Kasatkin, S. Kühl, M. Hävecker, F. Abild-Pedersen, S. Zander, F. Girgsdies, P. Kurr, B.-L. Kniep, M. Tovar, R.-W. Fischer, J.K. Nørskov and R. Schlögl: The Active Site of Methanol Synthesis over Cu/ZnO/Al₂O₃ Industrial Catalysts. Science 336 (6083), 893–897 (2012).

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Journal Article

Bhattacharya, S., A. Bhattacharya and G.P. Das: Anti-Kubas Type Interaction in Hydrogen Storage on a Li Decorated BHNH Sheet: A First-Principles Based Study. The Journal of Physical Chemistry C 116 (5), 3840–3844 (2012).

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Journal Article

Bielz, T., S. Soisuwan, F. Girgsdies, B. Klötzer and S. Penner: Reduction of Different GeO₂ Polymorphs. The Journal of Physical Chemistry C 116 (18), 9961–9968 (2012).

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Journal Article

Blum, A.S., J. Ren, D.C. Salisbury, M. Schemmel and K. Sundermeyer: 1912: A turning point on Einstein’s way to general relativity. Annalen der Physik 524 (1), A11–A13 (2012).

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Journal Article

Boscoboinik, A., X. Yu, B. Yang, F.D. Fischer, R. Włodarczyk, M. Sierka, S.K. Shaikhutdinov, J. Sauer and H.-J. Freund: Modeling Zeolites with Metal-Supported Two-Dimensional Aluminosilicate Films. Angewandte Chemie International Edition 51 (24), 6005–6008 (2012).

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Journal Article

Boscoboinik, A., X. Yu, B. Yang, F.D. Fischer, R. Włodarczyk, M. Sierka, S.K. Shaikhutdinov, J. Sauer and H.-J. Freund: Modellierung von Zeolithen durch zweidimensionale Aluminosilicatfilme auf Metallunterlagen. Angewandte Chemie 124 (24), 6107–6111 (2012).

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Journal Article

Bovensiepen, U. and P.S. Kirchmann: Elementary relaxation processes investigated by femtosecond photoelectron spectroscopy of two-dimensional materials. Laser & Photonics Reviews 6 (5), 589–606 (2012).

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Journal Article

Bowker, M., G. Hutchings, P.R. Davies, D. Edwards, R. Davies, S.K. Shaikhutdinov and H.-J. Freund: Surface structure of γ-Fe₂O₃(111). Surface science 606 (21-22), 1594–1599 (2012).

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Journal Article

Bradshaw, A.M. and T. Hamacher: Nonregenerative Natural Resources in a Sustainable System of Energy Supply. ChemSusChem: chemistry & sustainability, energy & materials 5 (3), 550–562 (2012).

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Journal Article

Braune, M., T. Lischke, A. Meißner, M. Ilchen, S. Deinert, J. Viefhaus, A. Knie and U. Becker: Evidence for anisotropic final state interactions in the two-photon ionization of rare gases. Journal of Physics: Conference Series 388 (3), 032074 (2012).

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Journal Article

Brete, D., D. Przyrembel, C. Eickhoff, R. Carley, W. Freyer, K. Reuter, C. Gahl and M. Weinelt: Mixed self-assembled monolayers of azobenzene photoswitches with trifluoromethyl and cyano end groups. Journal of Physics: Condensed Matter 24 (39), 394015 (2012).

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Journal Article

Brown, M.A., F. Vila, M. Sterrer, S. Thürmer, B. Winter, M. Ammann, J.J. Rehr and J.A. van Bokhoven: Electronic Structures of Formic Acid (HCOOH) and Formate (HCOO⁻) in Aqueous Solutions. The Journal of Physical Chemistry Letters 3 (13), 1754–1759 (2012).

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Büchner, C., L. Lichtenstein and M. Heyde: Ein glasklares Modell. Nachrichten aus der Chemie 60 (9), 861–864 (2012).

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Journal Article

Bulleid, N.E., R.J. Hendricks, E.A. Hinds, S.A. Meek, G. Meijer, A. Osterwalder and M.R. Tarbutt: Traveling-wave deceleration of heavy polar molecules in low-field-seeking states. Physical Review A 86 (2), 021404(R) (2012).

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Journal Article

Campbell, C.T., J.T. Yates, Jr. and H.-J. Freund: D. Wayne Goodman (1945–2012). Angewandte Chemie International Edition 51 (25), 6043–6044 (2012).

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Campbell, C.T., J.T. Yates, Jr. and H.-J. Freund: D. Wayne Goodman (1945–2012). Angewandte Chemie 124 (25), 6147–6148 (2012).

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Journal Article

Carter, D.J., M. Fuchs and C. Stampfl: Vacancies in GaN bulk and nanowires: effect of self-interaction corrections. Journal of Physics: Condensed Matter 24 (25), 255801 (2012).

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Journal Article

Caruso, F., P. Rinke, X. Ren, M. Scheffler and A. Rubio: Unified description of ground and excited states of finite systems: The self-consistent GW approach. Physical Review B 86 (8), 081102(R) (2012).

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Journal Article

Casadei, M., X. Ren, P. Rinke, A. Rubio and M. Scheffler: Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium. Physical Review Letters 109 (14), 146402 (2012).

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Journal Article

Casu, M.B., S.-A. Savu, B.-E. Schuster, I. Biswas, C. Raisch, H. Marchetto, T. Schmidt and T. Chassé: Island shapes and aggregation steered by the geometry of the substrate lattice. Chemical Communications 48 (55), 6957–6959 (2012).

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Journal Article

Checa, A., E.M. Harper and M.G. Willinger: Aragonitic dendritic prismatic shell microstructure in Thracia (Bivalvia, Anomalodesmata). Invertebrate biology 131 (1), 19–29 (2012).

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Journal Article

Chen, C., Q. Zhang, J.-Q. Huang, W. Zhang, X.-C. Zhao, C.-H. Huang, F. Wei, Y.-G. Yang, M.-Z. Wang and D.S. Su: Chemically derived graphene-metal oxide hybrids as electrodes for electrochemical energy storage: pre-graphenization or post-graphenization? Journal of Materials Chemistry 22 (28), 13947–13955 (2012).

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Journal Article

Chen, C., Q. Zhang, X.-C. Zhao, B.S. Zhang, Q.-Q. Kong, M.-G. Yang, Q.-H. Yang, M.-Z. Wang, Y.-G. Yang, R. Schlögl and D.S. Su: Hierarchically aminated graphene honeycombs for electrochemical capacitive energy storage. Journal of Materials Chemistry 22 (28), 14076–14084 (2012).

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Journal Article

Chen, J., S.A. Edwards, F. Gräter and C. Baldauf: On the Cis to Trans Isomerization of Prolyl−Peptide Bonds under Tension. The Journal of Physical Chemistry B 116 (31), 9346–9351 (2012).

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