Publications of Malgorzata Witko

Journal Article (19)

2001
Journal Article
A. Haras, 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).
Journal Article
K. Hermann, 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).
Journal Article
R. Tokarz-Sobieraj, 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).
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).
2000
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).
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
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, 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).
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).
1996
Journal Article
K. Hermann, 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).
1994
Journal Article
K. Hermann 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).
Journal Article
M. Witko, 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).
1993
Journal Article
K. Hermann, 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).
Journal Article
M. Witko, 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).
Journal Article
M. Witko 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).
Journal Article
M. Witko, 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).

Book Chapter (4)

2001
Book Chapter
K. Hermann 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). Elsevier, Amsterdam, 136–198 (2001).
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