Surface Structure of TiO2(011)-(2 × 1)

T. Beck, A. Klust, M. Batzill, U. Diebold, C. Di Valentin, A. Selloni

Department of Physics, Tulane University, New Orleans, Louisiana 70118, U.S.A.
Dipartimento di Scienza dei Materiali, Universita' degli Studi di Milano-Bicocca, 20125 Milano, Italy
Department of Chemistry, Princeton University, Princeton, New Jersey 08540, U.S.A.

Phys. Rev. Lett. 93 (2004) 036104

A combined experimental and first principles study of the (2 × 1)-reconstructed rutile TiO2(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 Ti=O species. These species should play a special role in the enhanced photocatalytic activity of the TiO2(011) surface.

Reprints available from U. Diebold (diebold at iap_tuwien_ac_at).

Users with online access to Physical Review Letters can load the article from the publisher.