个人简介

Oct 87 - Dec 94 Physics and Mathematics studies at the University of Stuttgart, Germany Jun 93 - Jun 94 Diploma thesis at the Max-Planck-Institute for Metals Research in Stuttgart Jan 95 - Oct 98 PhD student at the Max-Planck-Institute for Metals Research in Stuttgart in the group of Prof. Dr. Manfred Fähnle Apr 95 - Apr 96 Visiting Scientist at the Ames Laboratory (USDOE) and the Department of Physics, Iowa State University in Ames, Iowa, USA, in the group of Prof. Dr. Kai-Ming Ho Jan 99 - Oct 00 Postdoc at the Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey, USA, in the group of Prof. Dr. David Vanderbilt Nov 00 - Oct 06 Research Assistent (Habilitant) at the Lehrstuhl for Theoretical Chemistry at the Ruhr-University Bochum, Germany, in the group of Prof. Dr. Dominik Marx Nov 06 Habilitation in Theoretical Chemistry at the Ruhr-University Bochum Dec 04 - Nov 07 Head of a Junior Research Group at the Lehrstuhl for Theoretical Chemistry at the Ruhr-University Bochum Nov 00 - Jun 09 Member of the Collaborative Research Center SFB 558 'Metal-substrate interactions in heterogeneous catalysis' Mar 07 - Jul 07 Guest Scientist at the Materials Modelling Laboratory, Oxford University, Oxford, UK, in the group of Prof. Dr. Ralf Drautz and Prof. Dr. David Pettifor since Dec 07 W2-Professor for Computational Chemistry at the Friedrich-Alexander University Erlangen-Nuremberg, Germany Member of the Interdisciplinary Center for Molecular Materials (ICMM) Member of the Interdisciplinary Center for 'Interface-Controlled Processes' (IC-ICP)

研究领域

Computational Surface and Materials Science

Our main research interest is the investigation of various physical and chemical problems in surface and materials science using density-functional based ab-initio methods. For the study of structural and dynamic properties surfaces, adsorbates and interfaces we use the MBPP Mixed-Basis Pseudopotential code (which has been and is still developed in our group in close collaboration with other scientific partners) and the CPMD Car-Parrinello Molecular Dynamics program package.

近期论文

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P. Rodziewicz, B. Meyer Phys. Chem. Chem. Phys. 16 (2014) 940-954; Interplay between molecule-molecule and molecule-substrate interactions: first-principles study of fluoroform aggregates on a hexagonal ice (0001) surface B. Butz, C. Dolle, F. Niekiel, K. Weber, D. Waldmann, H.B. Weber, B. Meyer, E. Spiecker Nature 505 (2014) 533-537; Dislocations in bilayer graphene T. Milek, B. Meyer, D. Zahn J. Chem. Phys. 139 (2013) 144506; A first-principles based force-field for Li⁺ and OH⁻ in ethanolic solution J. Kiss, J. Frenzel, B. Meyer, D. Marx J. Chem. Phys. 139 (2013) 044705; Methanol synthesis on ZnO(000-1). II. Structure, energetics, and vibrational signature of reaction intermediates T. Bauer, T. Schmaltz, T. Lenz, M. Halik, B. Meyer, T. Clark ACS Applied Materials & Interfaces 5 (2013) 6073-6080; Phosphonate- and Carboxylate-Based Self-Assembled Monolayers for Organic Devices: A Theoretical Study of Surface Binding on Aluminum Oxide with Experimental Support J. Goclon, B. Meyer Phys. Chem. Chem. Phys. 15 (2013) 8373; The interaction of H2S with the ZnO (10-10) surface J. Frenzel, J. Kiss, N.N. Nair, B. Meyer, D. Marx Phys. Status Solidi B 250 (2013) 1174-1190; Methanol synthesis on ZnO from molecular dynamics L. Martínez-Suárez, J. Frenzel, D. Marx, B. Meyer Phys. Rev. Lett. 110 (2013) 086108; Tuning the Reactivity of a Cu/ZnO Nanocatalyst via Gas Phase Pressure C. Illg, B. Meyer, M. Fähnle Phys. Rev. B 86 (2012) 174309; Frequencies and polarization vectors of phonons: Results from force constants which are fitted to experimental data or calculated ab initio or calculated ab initio M. Klaumünzer, M. Mačković, P. Ferstl, M. Voigt, E. Spiecker, B. Meyer, W. Peukert J. Phys. Chem. C 116 (2012) 14529; Phase Transition Behavior and Oriented Aggregation During Precipitation of In(OH)3 and InOOH Nanocrystals E.R. Margine, A.N. Kolmogorov, M. Reese, M. Mrovec, C. Elsässer, B. Meyer, R. Drautz, D.G. Pettifor Phys. Rev. B 84 (2011) 155120; Development of orthogonal tight-binding models for Ti-C and Ti-N systems A. Urban, M. Reese, M. Mrovec, C. Elsässer, B. Meyer Phys. Rev. B 84 (2011) 155119; Parametrization of tight-binding models from density functional theory calculations P. Rodziewicz, K.S. Rutkowski, B. Meyer Phys. Chem. Chem. Phys. 13 (2011) 14101; First-principles study of fluoroform adsorption on a hexagonal ice(0001) surface: weak hydrogen bonds---strongstructural effects C. Ebensperger, B. Meyer Phys. Status Solidi B 248 (2011) 2229--2241; First-principles study of the reconstruction and hydroxylation of the polar NiO(111) surface J. Kiss, D. Langenberg, D. Silber, F. Traeger, L. Jin, H. Qiu, Y. Wang, B. Meyer, Ch. Wöll J. Phys. Chem. A 115 (2011) 7180; Combined Theoretical and Experimental Study on the Adsorption of Methanol on the ZnO(10-10) Surface J. Kiss, J. Frenzel, N.N. Nair, B. Meyer, D. Marx J. Chem. Phys. 134 (2011) 064710; Methanol synthesis on ZnO(000-1). III. Free energy landscapes, reaction pathways, and mechanistic insights P.M. Kowalski, M.F. Camellone, N.N. Nair, B. Meyer, D. Marx Phys. Rev. Lett. 105 (2010) 146405; Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO2(110) Surface R. Martínez-Casado, S. Miret-Artés, B. Meyer, F. Traeger, Ch. Wöll J. Phys.: Condens. Matter 22 (2010) 304011; He atom scattering from ZnO surfaces: calculation of diffraction peak intensities using the close-coupling approach Y. Umeno, J.-M. Albina, B. Meyer, C. Elsässer Phys. Rev. B 80 (2009) 205122; Ab initio calculation of ferroelectric instability in PbTiO3 capacitors with symmetric and asymmetric electrode layers M. Mrovec, J.-M. Albina, B. Meyer, C. Elsässer Phys. Rev. B 79 (2009) 245121; Schottky barriers at transition-metal/SrTiO3(001) interfaces