Lattice-work structure of a TiO2(0 0 1) surface studied by STM, core-level spectroscopies and DFT calculations

H. Ariga, T. Taniike, H. Morikawa, R. Tero, H. Kondoh, Y. Iwasawa

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24 Citations (Scopus)


The lattice-work structure of a rutile TiO2(0 0 1) surface, which is faceted to {1 1 4} plane, was studied by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) and density functional theory (DFT) calculations. Synchrotron XPS and NEXAFS spectra taken for the faceted surface indicated that this surface possesses a stoichiometric composition. We propose a new stoichiometric structure model on the basis of XPS, NEXAFS, and atomically-resolved STM observations. DFT calculations revealed that the present stoichiometric model is energetically more favorable compared to the previously proposed models.

Original languageEnglish
Pages (from-to)350-354
Number of pages5
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2008 Mar 20
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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