Surface Structure of ${\mathrm{T}\mathrm{i}\mathrm{O}}_{2}(011)\mathrm{\text{\ensuremath{-}}}(2\ifmmode\times\else\texttimes\fi{}1)$

Surface Structure of ${T i O}_{2} (011) − (2 \times 1)$

T. J. Beck, Andreas Klust, Matthias Batzill, Ulrike Diebold, Cristiana Di Valentin, and Annabella Selloni

Phys. Rev. Lett. 93, 036104 – Published 16 July 2004

Abstract

A combined experimental and first principles study of the $(2 \times 1)$ -reconstructed rutile ${T i O}_{2} (011)$ surface is presented. Our results provide evidence that the surface structure is described by a model that includes onefold coordinated (titanyl) oxygen atoms giving rise to double bonded $T i  O$ species. These species should play a special role in the enhanced photocatalytic activity of the ${T i O}_{2} (011)$ surface.

Received 7 April 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.036104

Authors & Affiliations

T. J. Beck¹, Andreas Klust¹, Matthias Batzill¹, Ulrike Diebold^1,*, Cristiana Di Valentin^2,3, and Annabella Selloni^3,†

¹Department of Physics, Tulane University, New Orleans, Louisiana 70118, USA
²Dipartimento di Scienza dei Materiali, Universita’ degli Studi di Milano-Bicocca, 20125 Milano, Italy
³Department of Chemistry, Princeton University, Princeton, New Jersey 08540, USA

^*Electronic address: diebold@tulane.edu
^†Electronic address: aselloni@princeton.edu

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Vol. 93, Iss. 3 — 16 July 2004

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Physical Review Letters

Surface Structure of TiO2(011)−(2×1)

T. J. Beck, Andreas Klust, Matthias Batzill, Ulrike Diebold, Cristiana Di Valentin, and Annabella Selloni

Phys. Rev. Lett. 93, 036104 – Published 16 July 2004

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Surface Structure of ${T i O}_{2} (011) − (2 \times 1)$