Publications of Malgorzata Witko

Haras, A., M. Witko, D.R. Salahub, K. Hermann and 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 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).

Tokarz-Sobieraj, R., K. Hermann, M. Witko, A. Blume, G. Mestl and 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 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).

Hermann, K., 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).

Witko, M. 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).

Hermann, K., 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).

Hermann, K., 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).

Chakrabarti, A., 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).

Hermann, K., M. Witko and 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 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).

Hermann, K., 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).

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

Hermann, K. and 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 and 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 and 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 and R. Tokarz: Adsorption of toluene on vanadium pentoxide surfaces. Quantum chemical study. Journal of Molecular Catalysis 82 (2-3), 457–466 (1993).

Witko, M. and 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 and A.M. Bradshaw: The electronic structure of the surface methoxy species on Cu(111). Chemical Physics 177 (2), 363–371 (1993).

Hermann, K. and 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).