Publications of Klaus Hermann

Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition 52 (51), pp. 13553 - 13557 (2013)

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

Gruber, M.; Hermann, K.: 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.; Hermann, K.: 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)

Khavryuchenko, O.; Frank, B.; Trunschke, A.; Hermann, K.; Schlögl, R.: Quantum-chemical investigation of hydrocarbon oxidative dehydrogenation over spin-active carbon catalyst clusters. The Journal of Physical Chemistry C 117 (12), pp. 6225 - 6234 (2013)

Guo, C.; Hermann, K.; Hävecker, M.; Trunschke, A.; Schlögl, R.: Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C 116 (42), pp. 22449 - 22457 (2012)

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

Diller, K.; Klappenberger, F.; Marschall, M.; Hermann, K.; Nefedov, A.; Wöll, C.; Barth, J. V.: Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study. The Journal of Chemical Physics 136 (1), 014705 (2012)

Guo, C.; Sun, L.; Hermann, K.; Hermanns, C. F.; Bernien, M.; Kuch, W.: 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)

Guo, C.; Hermann, K.; Hävecker, M.; Thielemann, J. P.; Kube, P.; Gregoriades, L. J.; Trunschke, A.; Sauer, J.; Schlögl, R.: Structural Analysis of Silica-Supported Molybdena Based on X-ray Spectroscopy: Quantum Theory and Experiment. The Journal of Physical Chemistry C 115, pp. 15449 - 15458 (2011)

Van Hove, M. A.; Hermann, K.; Watson, P. R.; Woodruff, D. P.; Tong, S. Y.; Diehl, R. D.; Heinz, K.; Minot, C.; Tochihara, H.: A standard format for reporting atomic positions: Further needs and options. Surface Science 604 (19-20), pp. 1544 - 1547 (2010)

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

Shi, X.-R.; Wang, J.; Hermann, K.: CO and NO Adsorption and Dissociation at the Β-Mo2C(0001) Surface: A Density Functional Theory Study. The Journal of Physical Chemistry C 114, pp. 13630 - 13641 (2010)

Shi, X.; Zhang, R. Q.; Minot, C.; Hermann, K.; Van Hove, M. A.; Wang, W.; Lin, N.: 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, pp. 2974 - 2979 (2010)

Piantek, M.; Miguel, J.; Krüger, A.; Navío, C.; Bernien, M.; Ball, D. K.; Hermann, K.; Kuch, W.: Temperature, surface, and coverage-induced conformational changes of azobenzene derivatives on Cu(001). Journal of Physical Chemistry C 113 (47), pp. 20307 - 20315 (2009)

Shi, X.-R.; Jiao, H.; Hermann, K.; Wang, J.: CO hydrogenation reaction on sulfided molybdenum catalysts. Journal of Molecular Catalysis A 312 (1-2), pp. 7 - 17 (2009)

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

Hävecker, M.; Cavalleri, M.; Herbert, R.; Follath, R.; Knop-Gericke, A.; Hess, C.; Hermann, K.; Schlögl, R.: 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), pp. 1459 - 1469 (2009)

Cavalleri, M.; Hermann, K.; Knop-Gericke, A.; Hävecker, M.; Herbert, R.; Hess, C.; Oestereich, A.; Döbler, J.; Schlögl, R.: Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies. Journal of Catalysis 262 (2), pp. 215 - 223 (2009)

Kröger, E. A.; Sayago, D. I.; Allegretti, F.; Knight, M. J.; Polcik, M.; Unterberger, W.; Lerotholi, T. J.; Hogan, K. A.; Lamont, C. L. A.; Cavalleri, M. et al.; Hermann, K.; Woodruff, D. P.: The local structure of OH species on the V₂O₃(0001) surface: A scanned-energy mode photoelectron diffraction study. Surface Science 602 (6), pp. 1267 - 1279 (2008)