Publications of Malgorzata Witko

Haras, A.; Witko, M.; Salahub, D. R.; Hermann, K.; Tokarz, R.: Electronic properties of the VO_2(011) surface: density functional cluster calculations. Surface Science 491 (1-2), pp. 77 - 87 (2001)

Hermann, K.; Chakrabarti, A.; Haras, A.; Witko, M.; Tepper, B.: Electronic Structure of Vanadium Dioxide: Ab initio Density Functional Theory Studies of Periodic and Local Systems. Physica Status Solidi A 187 (1), pp. 137 - 149 (2001)

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

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)

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)

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)

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.; 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)

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)

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

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

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

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

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

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

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

Hermann, K.; Witko, M.: Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides. In: Oxide surfaces, pp. 136 - 198. Elsevier, Amsterdam (2001)