Publications of Klaus Hermann

Hermann, K.; Witko, M.; Druzinic, R.; Tokarz, R.: Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide. Applied Physics A 72 (4), pp. 429 - 442 (2001)

Yin, X.; Hermann, K.: Structural and magnetic properties of ultrathin fcc Fe films on Cu(001): full-potential LAPW studies. Physical Review B 63 (11), 115417 (2001)

Witko, M.; Tokarz, R.; Haber, J.; Hermann, K.: Electronic structure of vanadyl pyrophosphate: cluster model studies. Journal of Molecular Catalysis A 166 (1), pp. 59 - 72 (2001)

Hermann, K.; Witko, M.; Druzinic, R.; Tokarz, R.: Hydrogen assisted oxygen desorption from the V_2O_5(010) surface. Topics in Catalysis 11-12 (1-4), pp. 67 - 75 (2000)

Van Hove, M. A.; Hermann, K.; Watson, P. R.; Rumble, J.: Greatly improved surface structure database - SSD version 3. Surface Review and Letters 6 (5), pp. 805 - 811 (1999)

Witko, M.; Hermann, K.: 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), pp. 221 - 223 (1999)

Witko, M.; Hermann, K.; Tokarz, R.: Adsorption and reactions at the (0 1 0) V₂O₅ surface: cluster model studies. Catalysis Today 50 (3-4), pp. 553 - 565 (1999)

Hermann, K.; Chakrabarti, A.; Druzinic, R.; Witko, M.: Ab initio density functional theory studies of hydrogen adsorption at the V₂O₅(010) surface. Physica Status Solidi A 173 (1), pp. 195 - 208 (1999)

Hermann, K.; Witko, M.; Michalak, A.: Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces. Catalysis Today 50 (3-4), pp. 567 - 577 (1999)

Chakrabarti, A.; Hermann, K.; Druzinic, R.; Witko, M.; Wagner, F.; Petersen, M.: Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study. Physical Review B 59 (16), pp. 10583 - 10590 (1999)

Hermann, K.; Witko, M.: Binding schemes of adsorbates at metal surfaces: theoretical cluster studies. Journal of Molecular Structure (Theochem) 458 (1-2), pp. 81 - 92 (1999)

Hermann, K.; Witko, M.; Druzinic, R.: Electronic properties, structure and adsorption at vanadium oxide: density functional theory studies. Faraday Discussions 114, pp. 53 - 66 (1999)

Hermann, K.; Witko, M.; Druzinic, R.; Chakrabarti, A.; Tepper, B.; Elsner, M.; Gorschlüter, A.; Kuhlenbeck, H.; Freund, H.-J.: 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, pp. 245 - 256 (1999)

Fuhrmann, D.; Wacker, D.; Weiß, K.; Hermann, K.; Witko, M.; Wöll, C.: 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, pp. 2651 - 2658 (1998)

Witko, M.; Hermann, K.: Different adsorbate binding mechanisms of hydrocarbons: Theoretical studies for Cu(111)-C₂H₂ and Cu(111)-C₂H₄. Applied Catalysis A 172 (1), pp. 85 - 95 (1998)

Witko, M.; Tokarz, R.; Hermann, K.: Cluster model studies on catalytic properties of vanadium pentoxide. Polish Journal of Chemistry 72 (7S), pp. 1565 - 1583 (1998)

Witko, M.; Tokarz, R.; Hermann, K.: Surface cluster models for V₂O₅-studies of the importance of local geometry. Collection of Czechoslovak Chemical Communications 63 (9), pp. 1355 - 1367 (1998)

Hermann, K.: General method to select convenient lattice vectors on a surface with arbitrary Miller indices. Surface Review and Letters 4 (5), pp. 1063 - 1069 (1997)

Hermann, K.; Witko, M.; Michalak, A.: Structure, bonding, and reactivity at molybdenum oxide (MoO₃) surfaces. Preprints / American Chemical Society, Division of Petroleum Chemistry 42, pp. 106 - 109 (1997)

Michalak, A.; Witko, M.; Hermann, K.: Density functional cluster studies on the (010) surface of vanadium pentoxide. Surface Science 375 (2-3), pp. 385 - 394 (1997)