Publications of Klaus Hermann
All genres
Journal Article (108)
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).
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).
2006
Journal Article
C. Kolczewski, , , , , , K. Hermann and : 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).
Journal Article
C. Kolczewski, , , , , , and 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
Journal Article
, K. Hermann and : 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).
Journal Article
C. Kolczewski and 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).
Journal Article
C. Kolczewski and 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).
Journal Article
, , , , , C. Kolczewski, K. Hermann and : 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
Journal Article
C. Kolczewski and 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).
Journal Article
, C. Kolczewski, , , , , J. Viefhaus, K. Hermann and : 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).
Journal Article
, , and 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
Journal Article
I. Czekaj, K. Hermann and : Ab initio density functional theory studies on oxygen stabilization at the V2O3(0001) surface. Surface Science 545 (1-2), 85–98 (2003).
Journal Article
I. Czekaj, K. Hermann and : 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).
Journal Article
I. Czekaj, and 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).
Journal Article
I. Czekaj, and K. Hermann: Oxygen adsorption at the V2O3(0001) surface: DFT cluster model studies. Annals of the Polish Chemical Society 2 (III), 899–903 (2003).
Journal Article
C. Kolczewski and 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
Journal Article
, K. Hermann and : The NIST surface structure database - SSD version 4. Acta Crystallographica B 58, 338–342 (2002).
2001
Journal Article
, M. Witko, , K. Hermann and : Electronic properties of the VO_2(011) surface: density functional cluster calculations. Surface Science 491 (1-2), 77–87 (2001).
Journal Article
K. Hermann, , , M. Witko and 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).
Journal Article
K. Hermann, M. Witko, R. Druzinic and : Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide. Applied Physics A 72 (4), 429–442 (2001).