Mixed dissociated/molecular monolayer of water on the TiO2(011)-(2 x 1) surface

被引:40
作者
Beck, TJ
Klust, A
Batzill, M
Diebold, U [1 ]
Di Valentin, C
Tilocca, A
Selloni, A
机构
[1] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA
[2] Univ Studi Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
[3] Princeton Univ, Dept Chem, Princeton, NJ 08540 USA
基金
美国国家科学基金会; 美国国家航空航天局;
关键词
adsorption; titanium dioxide; water; scanning tunneling microscopy; photoelectron spectroscopy; density functional calculations; molecular dynamics;
D O I
10.1016/j.susc.2005.06.021
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A combined theoretical and experimental approach is used to study water on the TiO2(011)-(2 x 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. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码:L267 / L272
页数:6
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