Publications of Malgorzata Witko

All genres

Journal Article (19)

2001

Journal Article

Haras, A., Malgorzata Witko, D.R. Salahub, Klaus Hermann and Renata Tokarz: Electronic properties of the VO_2(011) surface: density functional cluster calculations.

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Journal Article

Hermann, Klaus, Aparna Chakrabarti, A. Haras, Malgorzata Witko and Bettina Tepper: Electronic Structure of Vanadium Dioxide: Ab initio Density Functional Theory Studies of Periodic and Local Systems.

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Journal Article

Hermann, Klaus, Malgorzata Witko, Rok Druzinic and R. Tokarz: Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide.

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Journal Article

Tokarz-Sobieraj, Renata, Klaus Hermann, Malgorzata Witko, Andreas Blume, Gerhard Mestl and Robert Schlögl: Properties of oxygen sites at the MoO_3(010) surface: density functional theory cluster studies and photoemission experiments.

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2000

Journal Article

Hermann, Klaus, Malgorzata Witko, Rok Druzinic and Renata Tokarz: Hydrogen assisted oxygen desorption from the V_2O_5(010) surface.

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1999

Journal Article

Chakrabarti, Aparna, Klaus Hermann, Rok Druzinic, Malgorzata Witko, F. Wagner and Max Petersen: Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study.

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Full

Journal Article

Hermann, Klaus, Aparna Chakrabarti, Rok Druzinic and Malgorzata Witko: Ab initio density functional theory studies of hydrogen adsorption at the V₂O₅(010) surface.

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Journal Article

Hermann, Klaus, Malgorzata Witko and Rok Druzinic: Electronic properties, structure and adsorption at vanadium oxide: density functional theory studies.

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Journal Article

Hermann, Klaus, Malgorzata Witko, Rok Druzinic, Aparna Chakrabarti, Bettina Tepper, M. Elsner, A. Gorschlüter, Helmut Kuhlenbeck and Hans-Joachim Freund: Properties and identification of oxygen sites at the V₂O₅(010) surface: theoretical cluster studies and photoemission experiments.

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Full

Journal Article

Hermann, Klaus, Malgorzata Witko and A. Michalak: Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces.

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Full

Journal Article

Witko, Malgorzata and Klaus 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).

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1997

Journal Article

Hermann, K., M. Witko and A. Michalak: Structure, bonding, and reactivity at molybdenum oxide (MoO₃) surfaces.

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1996

Journal Article

Hermann, Klaus, Malgorzata Witko and A. Michalak: Geometry of acetylene adsorbed on Cu(111): Theoretical cluster studies.

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publisher-version

1994

Journal Article

Hermann, Klaus and Malgorzata Witko: CH₃ CN/alkali coadsorption at metal surfaces: model studies for alkali induced adsorbate geometry changes.

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Journal Article

Witko, Malgorzata, Klaus Hermann and R. Tokarz: Ab initio and semiempirical cluster studies on the reactivity of the vanadium pentoxide (010) surface.

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1993

Journal Article

Hermann, Klaus, Malgorzata Witko, L.G.M. Pettersson and P. Siegbahn: Binding of radical species to surfaces: Cluster models for OH on Cu(111).

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Journal Article

Witko, Malgorzata, J. Haber and R. Tokarz: Adsorption of toluene on vanadium pentoxide surfaces. Quantum chemical study.

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Journal Article

Witko, Malgorzata and Klaus Hermann: Hydrogen adsorption and OH desorption at vanadium pentoxide surfaces: ab initio cluster model studies.

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Journal Article

Witko, Malgorzata, Klaus Hermann, Detlef E. Ricken, W. Stenzel, Horst Conrad and Alexander M. Bradshaw: The electronic structure of the surface methoxy species on Cu(111).

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Book Chapter (4)

2001

Book Chapter

Hermann, Klaus and Malgorzata Witko: Theory of physical and chemical behavior of transition metal oxides: vanadium and molybdenum oxides.

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