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APS » Journals » Phys. Rev. Lett. » Volume 96 » Issue 22
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Phys. Rev. Lett. 96, 226105 (2006) [4 pages]

Surface Reconstructions of TiO2(110) Driven by Suboxides

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K. T. Park1,2, M. H. Pan3,4, V. Meunier5,3, and E. W. Plummer2,4,3
1Department of Physics, Baylor University, Waco, Texas 76798, USA
2Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996, USA
3Center of Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
4Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
5Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

Received 9 March 2006; published 7 June 2006

Scanning tunneling microscopy and density functional theory are used to develop a new structural model for surface reconstructions driven by Ti interstitials on TiO2(110). Ti interstitials form the edge- or face-sharing octahedra that serve as building blocks for (1×1) reconstruction. Thus, contrary to conventional wisdom, the 1×1 periodicity is insufficient to establish the correct surface stoichiometry. Furthermore, in our structural and compositional model the reversible oxidation or reduction between (1×1) and (1×2) is entirely achieved by transfer of the added rows.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.96.226105
DOI:
10.1103/PhysRevLett.96.226105
PACS:
68.35.Bs, 68.35.Rh, 68.37.Ef, 68.47.Gh
 
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