Publikationen von Malgorzata Witko

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).

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).

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).

Tokarz-Sobieraj, R., K. Hermann, M. Witko, A. Blume, G. Mestl und R. Schlögl: Properties of oxygen sites at the MoO_3(010) surface: density functional theory cluster studies and photoemission experiments. Surface Science 489 (1-3), 107–125 (2001).

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

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

Hermann, K., A. Chakrabarti, R. Druzinic und 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).

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

Hermann, K., M. Witko, R. Druzinic, A. Chakrabarti, B. Tepper, M. Elsner, A. Gorschlüter, H. Kuhlenbeck und 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).

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

Witko, M. und 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).

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

Hermann, K., M. Witko und A. Michalak: Geometry of acetylene adsorbed on Cu(111): Theoretical cluster studies. Zeitschrift für Physikalische Chemie 197 (1-2), 219–235 (1996).

Hermann, K. und M. Witko: CH₃ CN/alkali coadsorption at metal surfaces: model studies for alkali induced adsorbate geometry changes. Surface Science 307-309 (Part A), 53–59 (1994).

Witko, M., K. Hermann und R. Tokarz: Ab initio and semiempirical cluster studies on the reactivity of the vanadium pentoxide (010) surface. Journal of Electron Spectroscopy and Related Phenomena 69 (1), 89–98 (1994).

Hermann, K., M. Witko, L.G.M. Pettersson und P. Siegbahn: Binding of radical species to surfaces: Cluster models for OH on Cu(111). Journal of Chemical Physics 99 (1), 610–619 (1993).

Witko, M., J. Haber und R. Tokarz: Adsorption of toluene on vanadium pentoxide surfaces. Quantum chemical study. Journal of Molecular Catalysis 82 (2-3), 457–466 (1993).

Witko, M. und K. Hermann: Hydrogen adsorption and OH desorption at vanadium pentoxide surfaces: ab initio cluster model studies. Journal of Molecular Catalysis 81 (2), 279–292 (1993).

Witko, M., K. Hermann, D.E. Ricken, W. Stenzel, H. Conrad und A.M. Bradshaw: The electronic structure of the surface methoxy species on Cu(111). Chemical Physics 177 (2), 363–371 (1993).

Hermann, K. und M. Witko: Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides. In: Oxide surfaces. (The Chemical Physics of Solid Surfaces, Vol. 9). Elsevier, Amsterdam, 136–198 (2001).