Publications of Klaus Hermann

Journal Article (106)

Journal Article
M. Gruber and K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on adsorbate diffusion and dehydrogenation at vanadium oxide substrate. The Journal of Chemical Physics 138 (19), 194701 (2013).
Journal Article
M. Gruber and K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reactant adsorption at vanadium oxide substrate. The Journal of Chemical Physics 138 (9), 094704 (2013).
Journal Article
O. Khavryuchenko, B. Frank, A. Trunschke, K. Hermann and R. Schlögl: Quantum-chemical investigation of hydrocarbon oxidative dehydrogenation over spin-active carbon catalyst clusters. The Journal of Physical Chemistry C 117 (12), 6225–6234 (2013).
Journal Article
C. Guo, K. Hermann, M. Hävecker, A. Trunschke and R. Schlögl: Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C 116 (42), 22449–22457 (2012).
Journal Article
K. Hermann: Periodic overlayers and moiré patterns: theoretical studies of geometric properties. Journal of Physics: Condensed Matter 24 (31), 314210 (2012).
Journal Article
K. Diller, F. Klappenberger, M. Marschall, K. Hermann, A. Nefedov, C. Wöll and J.V. Barth: Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study. The Journal of Chemical Physics 136 (1), 014705 (2012).
Journal Article
C. Guo, L. Sun, K. Hermann, C.F. Hermanns, M. Bernien and W. Kuch: X-ray absorption from large molecules at metal surfaces: Theoretical and experimental results for Co-OEP on Ni(100). The Journal of Chemical Physics 137 (19), 194703 (2012).
Journal Article
C. Guo, K. Hermann, M. Hävecker, J.P. Thielemann, P. Kube, L.J. Gregoriades, A. Trunschke, J. Sauer and R. Schlögl: Structural Analysis of Silica-Supported Molybdena Based on X-ray Spectroscopy: Quantum Theory and Experiment. The Journal of Physical Chemistry C 115, 15449–15458 (2011).
Journal Article
M.A. Van Hove, K. Hermann, P.R. Watson, D.P. Woodruff, S.Y. Tong, R.D. Diehl, K. Heinz, C. Minot and H. Tochihara: A standard format for reporting atomic positions: Further needs and options. Surface Science 604 (19-20), 1544–1547 (2010).
Journal Article
X.-R. Shi, J. Wang and K. Hermann: Theoretical cluster studies on the catalytic sulfidation of MoO3. Journal of Physical Chemistry C 114 (14), 6791–6801 (2010).
Journal Article
X.-R. Shi, J. Wang and K. Hermann: CO and NO Adsorption and Dissociation at the Β-Mo2C(0001) Surface: A Density Functional Theory Study. The Journal of Physical Chemistry C 114, 13630–13641 (2010).
Journal Article
X. Shi, R.Q. Zhang, C. Minot, K. Hermann, M.A. Van Hove, W. Wang and N. Lin: Complex Molecules on a Flat Metal Surface: Large Distortions Induced by Chemisorption Can Make Physisorption Energetically More Favorable. The Journal of Physical Chemistry Letters 1, 2974–2979 (2010).
Journal Article
M. Piantek, J. Miguel, A. Krüger, C. Navío, M. Bernien, D.K. Ball, K. Hermann and W. Kuch: Temperature, surface, and coverage-induced conformational changes of azobenzene derivatives on Cu(001). Journal of Physical Chemistry C 113 (47), 20307–20315 (2009).
Journal Article
X.-R. Shi, H. Jiao, K. Hermann and J. Wang: CO hydrogenation reaction on sulfided molybdenum catalysts. Journal of Molecular Catalysis A 312 (1-2), 7–17 (2009).
Journal Article
P. Hejduk, 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).
Journal Article
M. Hävecker, M. Cavalleri, R. Herbert, R. Follath, A. Knop-Gericke, C. Hess, K. Hermann and R. Schlögl: Methodology for the structural characterisation of VxOy 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).
Journal Article
M. Cavalleri, K. Hermann, A. Knop-Gericke, M. Hävecker, R. Herbert, C. Hess, A. Oestereich, J. Döbler and R. Schlögl: Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies. Journal of Catalysis 262 (2), 215–223 (2009).
Journal Article
E.A. Kröger, D.I. Sayago, F. Allegretti, M.J. Knight, M. Polcik, W. Unterberger, T.J. Lerotholi, K.A. Hogan, C.L.A. Lamont, M. Cavalleri, K. Hermann and D.P. Woodruff: The local structure of OH species on the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study. Surface Science 602 (6), 1267–1279 (2008).
Journal Article
C. Kolczewski, K. Hermann, S. Guimond, H. Kuhlenbeck and H.-J. Freund: Identification of the vanadyl terminated V2O3(0 0 0 1) surface by NEXAFS spectroscopy: A combined theoretical and experimental study. Surface Science 601 (23), 5394–5402 (2007).
Journal Article
M. Cavalleri, K. Hermann, S. Guimond, Y. Romanyshyn, H. Kuhlenbeck and H.-J. Freund: X-ray spectroscopic fingerprints of reactive oxygen sites at the MoO3(0 1 0) surface. Catalysis Today 124 (1-2), 21–27 (2007).
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