Publikationen von Klaus Hermann

Zeitschriftenartikel (108)

2007
Zeitschriftenartikel
Cavalleri, M., K. Hermann, S. Guimond, Y. Romanyshyn, H. Kuhlenbeck und 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).
Zeitschriftenartikel
Kolczewski, C., K. Hermann, S. Guimond, H. Kuhlenbeck und 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).
2006
Zeitschriftenartikel
Kolczewski, C., R. Püttner, M. Martins, A.S. Schlachter, G. Snell, M.M. Sant'Anna, K. Hermann und G. Kaindl: Spectroscopic analysis of small organic molecules: A comprehensive near-edge x-ray-absorption fine-structure study of C6-ring-containing molecules. The Journal of Chemical Physics 124 (3), 034302 (2006).
Zeitschriftenartikel
Kolczewski, C., F.J. Williams, R.L. Cropley, O.P.H. Vaughan, A.J. Urquhart, M.S. Tikhov, R.M. Lambert und K. Hermann: Adsorption geometry and core excitation spectra of three phenylpropene isomers on Cu(111). The Journal of Chemical Physics 125 (3), 034701 (2006).
2005
Zeitschriftenartikel
Bagus, P.S., K. Hermann und C. Wöll: The interaction of C6H6 and C6H12 with noble metal surfaces: Electronic level alignment and the origin of the interface dipole. The Journal of Chemical Physics 123 (18), 184109 (2005).
Zeitschriftenartikel
Kolczewski, C. und K. Hermann: Ab initio DFT studies of oxygen K edge NEXAFS spectra for the V2O3(0001) surface. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 114 (1-3), 60–67 (2005).
Zeitschriftenartikel
Kolczewski, C. und K. Hermann: Oxygen 1s NEXAFS spectra of the V2O5(010) surface theoretical studies using ab initio DFT cluster models. Physica Scripta T115, 128–130 (2005).
Zeitschriftenartikel
Williams, F.J., R.L. Cropley, O.P.H. Vaughan, A.J. Urquhart, M.S. Tikhov, C. Kolczewski, K. Hermann und R.M. Lambert: Critical influence of adsorption geometry in the heterogeneous epoxidation of "allylic" alkenes: Structure and reactivity of three phenylpropene isomers on Cu(111). Journal of the American Chemical Society 127 (48), 17007–17011 (2005).
2004
Zeitschriftenartikel
Kolczewski, C. und K. Hermann: Ab initio DFT cluster studies of angle-resolved NEXAFS spectra for differently coordinated oxygen at the V2O5(0 1 0) surface. Surface Science 552 (1-3), 98–110 (2004).
Zeitschriftenartikel
Püttner, R., C. Kolczewski, M. Martins, A.S. Schlachter, G. Snell, M. Sant'Anna, J. Viefhaus, K. Hermann und G. Kaindl: The C 1s NEXAFS spectrum of benzene below threshold: Rydberg or valence character of the unoccupied sigma-type orbitals. Chemical Physics Letters 393 (4-6), 361–366 (2004).
Zeitschriftenartikel
Tokarz-Sobieraj, R., R. Grybos, M. Witko und K. Hermann: Oxygen sites at molybdena and vanadia surfaces: Energetics of the re-oxidation process. Collection of Czechoslovak Chemical Communications 69 (1), 121–140 (2004).
2003
Zeitschriftenartikel
Czekaj, I., K. Hermann und M. Witko: Ab initio density functional theory studies on oxygen stabilization at the V2O3(0001) surface. Surface Science 545 (1-2), 85–98 (2003).
Zeitschriftenartikel
Czekaj, I., K. Hermann und M. Witko: Relaxation and electronic structure of the V2O3(0 0 0 1) surface: ab initio cluster model studies. Surface Science 525 (1-3), 33–45 (2003).
Zeitschriftenartikel
Czekaj, I., M. Witko und K. Hermann: Structure and electronic properties of the V2O3(0001) surface: ab initio density functional theory cluster studies. Surface Science 525 (1-3), 46–56 (2003).
Zeitschriftenartikel
Czekaj, I., M. Witko und K. Hermann: Oxygen adsorption at the V2O3(0001) surface: DFT cluster model studies. Annals of the Polish Chemical Society 2 (III), 899–903 (2003).
Zeitschriftenartikel
Kolczewski, C. und K. Hermann: Identification of oxygen sites at the V2O5(010) surface by core-level electron spectroscopy: ab initio cluster studies. The Journal of Chemical Physics 118 (16), 7599–7609 (2003).
2002
Zeitschriftenartikel
Van Hove, M.A., K. Hermann und P.R. Watson: The NIST surface structure database - SSD version 4. Acta Crystallographica B 58, 338–342 (2002).
2001
Zeitschriftenartikel
Haras, A., M. Witko, D.R. Salahub, K. Hermann und R. Tokarz: Electronic properties of the VO_2(011) surface: density functional cluster calculations. Surface Science 491 (1-2), 77–87 (2001).
Zeitschriftenartikel
Hermann, K., A. Chakrabarti, A. Haras, M. Witko und B. Tepper: Electronic Structure of Vanadium Dioxide: Ab initio Density Functional Theory Studies of Periodic and Local Systems. Physica Status Solidi A 187 (1), 137–149 (2001).
Zeitschriftenartikel
Hermann, K., M. Witko, R. Druzinic und R. Tokarz: Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide. Applied Physics A 72 (4), 429–442 (2001).
Zur Redakteursansicht