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

来源：

SURFACE SCIENCE | 2005年 / 591卷 / 1-3期

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

页码：L267 / L272

页数：6

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