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).
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