Publications of Klaus Hermann

Amakawa, K., L. Sun, C. Guo, M. Hävecker, P. Kube, I.E. Wachs, S. Lwin, A.I. Frenkel, A. Patlolla, K. Hermann, R. Schlögl and A. Trunschke: Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie 125 (51), 13796–13800 (2013).

Gruber, M. and K. Hermann: Elementary steps of the catalytic NO_x reduction with NH₃: Cluster studies on adsorbate diffusion and dehydrogenation at vanadium oxide substrate. The Journal of Chemical Physics 138 (19), 194701 (2013).

Gruber, M. and K. Hermann: Elementary steps of the catalytic NO_x reduction with NH₃: Cluster studies on reactant adsorption at vanadium oxide substrate. The Journal of Chemical Physics 138 (9), 094704 (2013).

Gruber, M. and K. Hermann: Elementary steps of the catalytic NO_x reduction with NH₃: Cluster studies on reaction paths and energetics at vanadium oxide substrate. The Journal of Chemical Physics 139 (24), 244701 (2013).

Khavryuchenko, O., 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).

Diller, K., 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).

Guo, C., 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).

Guo, C., 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).

Hermann, K.: Periodic overlayers and moiré patterns: theoretical studies of geometric properties. Journal of Physics: Condensed Matter 24 (31), 314210 (2012).

Guo, C., 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).

Shi, X.-R., 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).

Shi, X.-R., J. Wang and K. Hermann: Theoretical cluster studies on the catalytic sulfidation of MoO₃. Journal of Physical Chemistry C 114 (14), 6791–6801 (2010).

Shi, X., 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).

Van Hove, M.A., 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).

Cavalleri, M., 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).

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).

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).

Piantek, M., 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).

Shi, X.-R., 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).

Kröger, E.A., 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).