Mixed dissociated/molecular monolayer of water on the TiO2(011)-(2x1) surface

T. Beck, A. Klust, M. Batzill, U. Diebold, C. Di Valentin, A. Tilocca, 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, NJ 08540, USA

Surf. Sci. 591 (2005) L267-L272

A combined theoretical and experimental approach is used to study water on the TiO2(011)-(2×1) surface. Based on simple proximity arguments dissociative adsorption is expected. Density functional theory and photoemission spectroscopy show that, at low temperatures, a mixed molecular/dissociated water monolayer is stabilized by a H-bonding network. Scanning tunneling microscopy and molecular dynamics simulations provide evidence of a dissociated layer with a preferential non-uniform arrangement of the adsorbates at room temperature.

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

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