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, Hiroshi Kondoh, Y. Iwasawa

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

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
Volume454
Issue number4-6
DOIs
Publication statusPublished - 2008 Mar 20
Externally publishedYes

Fingerprint

Core levels
X ray absorption
Scanning tunneling microscopy
Density functional theory
scanning tunneling microscopy
X ray photoelectron spectroscopy
Spectroscopy
density functional theory
spectroscopy
x rays
fine structure
photoelectron spectroscopy
Model structures
Synchrotrons
Chemical analysis
rutile
synchrotrons

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Lattice-work structure of a TiO2(0 0 1) surface studied by STM, core-level spectroscopies and DFT calculations. / Ariga, H.; Taniike, T.; Morikawa, H.; Tero, R.; Kondoh, Hiroshi; Iwasawa, Y.

In: Chemical Physics Letters, Vol. 454, No. 4-6, 20.03.2008, p. 350-354.

Research output: Contribution to journalArticle

Ariga, H. ; Taniike, T. ; Morikawa, H. ; Tero, R. ; Kondoh, Hiroshi ; Iwasawa, Y. / Lattice-work structure of a TiO2(0 0 1) surface studied by STM, core-level spectroscopies and DFT calculations. In: Chemical Physics Letters. 2008 ; Vol. 454, No. 4-6. pp. 350-354.
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