The structure of formate on TiO2(110) by scanned-energy and scanned-angle photoelectron diffraction

S. Thevuthasan, G. S. Herman, Y. J. Kim, S. A. Chambers, C. H.F. Peden, Z. Wang, R. X. Ynzunza, E. D. Tober, J. Morais, C. S. Fadley

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    Abstract

    We have used high- and low-energy X-ray photoelectron diffraction to determine the structure of formate adsorbed on TiO2(110). Formate binds to the surface through both oxygens to pairs of neighboring Ti4+ cations oriented along [001] to form a 2x1 overlayer. The O-C-O bond angle is 126±4°. The vertical distance between formate oxygens and surface Ti cations is 2.1±0.1 Å. These results are in good agreement with those from Hartree-Fock total energy minimization.

    Original languageEnglish
    Pages (from-to)261-268
    Number of pages8
    JournalSurface Science
    Volume401
    Issue number2
    DOIs
    Publication statusPublished - 1 Apr 1998

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    Keywords

    • Carboxylic acid
    • Chemisorption
    • Electron-solid diffraction
    • Electron-solid interactions, scattering, diffraction
    • Photoelectron diffraction
    • Photoelectron spectroscopy
    • Single crystal surfaces
    • Soft X-ray photoelectron spectroscopy

    ASJC Scopus subject areas

    • Condensed Matter Physics
    • Surfaces and Interfaces
    • Surfaces, Coatings and Films
    • Materials Chemistry

    Cite this

    Thevuthasan, S., Herman, G. S., Kim, Y. J., Chambers, S. A., Peden, C. H. F., Wang, Z., Ynzunza, R. X., Tober, E. D., Morais, J., & Fadley, C. S. (1998). The structure of formate on TiO2(110) by scanned-energy and scanned-angle photoelectron diffraction. Surface Science, 401(2), 261-268. https://doi.org/10.1016/S0039-6028(97)01092-3