Structure of the TiO2 - Cursive chi(100)-1 × 3 surface by direct methods

E. Landree*, L. D. Marks, P. Zschack, C. J. Gilmore

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

An improved atomic model of the TiO2 - cursive chi(100)-1 × 3 surface has been determined based on grazing incidence X-ray diffraction (GIXD) data analyzed by direct methods coupled with χ2 minimization. The structure contains edge- and face-sharing octahedra, similar to known defect structures in TinO2n - 1. The final structure consists of four Ti atoms and six to eight oxygen.

Original languageEnglish (US)
Pages (from-to)300-309
Number of pages10
JournalSurface Science
Volume408
Issue number1-3
DOIs
StatePublished - Jun 15 1998

Keywords

  • Computer simulations
  • Direct methods
  • Low index single crystal surfaces
  • Surface relaxation and reconstruction
  • Tio(100)-1 × 3
  • Titanium oxide
  • X-ray scattering, diffraction and reflection

ASJC Scopus subject areas

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

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