Publications of Klaus Hermann

Journal Article (108)

Journal Article
K. Hermann, M. Witko, R. Druzinic and R. Tokarz: Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide. Applied Physics A 72 (4), 429–442 (2001).
Journal Article
X. Yin and K. Hermann: Structural and magnetic properties of ultrathin fcc Fe films on Cu(001): full-potential LAPW studies. Physical Review B 63 (11), 115417 (2001).
Journal Article
M. Witko, R. Tokarz, J. Haber and K. Hermann: Electronic structure of vanadyl pyrophosphate: cluster model studies. Journal of Molecular Catalysis A 166 (1), 59–72 (2001).
Journal Article
K. Hermann, M. Witko, R. Druzinic and R. Tokarz: Hydrogen assisted oxygen desorption from the V_2O_5(010) surface. Topics in Catalysis 11-12 (1-4), 67–75 (2000).
Journal Article
M.A. Van Hove, K. Hermann, P.R. Watson and J. Rumble: Greatly improved surface structure database - SSD version 3. Surface Review and Letters 6 (5), 805–811 (1999).
Journal Article
M. Witko and K. Hermann: Erratum to: Different adsorbate binding mechanisms of hydrocarbons: Theoretical studies for Cu(111)-C2H2 and Cu(111)-C2H4. In: Applied Catalysis A 172, 85-95 (1998). Applied Catalysis A 183 (1), 221–223 (1999).
Journal Article
M. Witko, K. Hermann and R. Tokarz: Adsorption and reactions at the (0 1 0) V2O5 surface: cluster model studies. Catalysis Today 50 (3-4), 553–565 (1999).
Journal Article
K. Hermann, A. Chakrabarti, R. Druzinic and M. Witko: Ab initio density functional theory studies of hydrogen adsorption at the V2O5(010) surface. Physica Status Solidi A 173 (1), 195–208 (1999).
Journal Article
K. Hermann, M. Witko and A. Michalak: Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces. Catalysis Today 50 (3-4), 567–577 (1999).
Journal Article
A. Chakrabarti, K. Hermann, R. Druzinic, M. Witko, F. Wagner and M. Petersen: Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study. Physical Review B 59 (16), 10583–10590 (1999).
Journal Article
K. Hermann and M. Witko: Binding schemes of adsorbates at metal surfaces: theoretical cluster studies. Journal of Molecular Structure (Theochem) 458 (1-2), 81–92 (1999).
Journal Article
K. Hermann, M. Witko and R. Druzinic: Electronic properties, structure and adsorption at vanadium oxide: density functional theory studies. Faraday Discussions 114, 53–66 (1999).
Journal Article
K. Hermann, M. Witko, R. Druzinic, A. Chakrabarti, B. Tepper, M. Elsner, A. Gorschlüter, H. Kuhlenbeck and H.-J. Freund: Properties and identification of oxygen sites at the V2O5(010) surface: theoretical cluster studies and photoemission experiments. Journal of Electron Spectroscopy and Related Phenomena 98-99, 245–256 (1999).
Journal Article
D. Fuhrmann, D. Wacker, K. Weiß, K. Hermann, M. Witko and C. Wöll: The adsorption of small hydrocarbons on Cu(111): A combined He-atom scattering and X-ray absorption study for ethane, ethylene, and acetylene. Journal of Chemical Physics 108, 2651–2658 (1998).
Journal Article
M. Witko and K. Hermann: Different adsorbate binding mechanisms of hydrocarbons: Theoretical studies for Cu(111)-C2H2 and Cu(111)-C2H4. Applied Catalysis A 172 (1), 85–95 (1998).
Journal Article
M. Witko, R. Tokarz and K. Hermann: Cluster model studies on catalytic properties of vanadium pentoxide. Polish Journal of Chemistry 72 (7S), 1565–1583 (1998).
Journal Article
M. Witko, R. Tokarz and K. Hermann: Surface cluster models for V2O5-studies of the importance of local geometry. Collection of Czechoslovak Chemical Communications 63 (9), 1355–1367 (1998).
Journal Article
K. Hermann: General method to select convenient lattice vectors on a surface with arbitrary Miller indices. Surface Review and Letters 4 (5), 1063–1069 (1997).
Journal Article
K. Hermann, M. Witko and A. Michalak: Structure, bonding, and reactivity at molybdenum oxide (MoO3) surfaces. Preprints / American Chemical Society, Division of Petroleum Chemistry 42, 106–109 (1997).
Journal Article
A. Michalak, M. Witko and K. Hermann: Density functional cluster studies on the (010) surface of vanadium pentoxide. Surface Science 375 (2-3), 385–394 (1997).
Go to Editor View