Water Adsorption on TiO2

被引：105

作者：

Hammer, B. ^{[1
]}

Wendt, S.

Besenbacher, F.

机构：

[1] Aarhus Univ, Interdisciplinary Nanosci Ctr iNANO, DK-8000 Aarhus C, Denmark

来源：

TOPICS IN CATALYSIS | 2010年 / 53卷 / 5-6期

基金：

欧洲研究理事会;

关键词：

Titania; TiO2; Water; Surface reaction; Scanning tunneling microscopy; Density functional theory; SCANNING-TUNNELING-MICROSCOPY; DENSITY-FUNCTIONAL THEORY; TIO2(110) SURFACE; MOLECULAR-OXYGEN; RUTILE TIO2(110); TRANSITION-METAL; OXIDE SURFACE; OH GROUPS; DISSOCIATION; O-2;

D O I：

10.1007/s11244-010-9454-3

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Scanning Tunneling Microscopy (STM) studies and Density Functional Theory (DFT) investigations of the interaction of water with the rutile TiO2 (110) surface are summarized. From high-resolution STM the following reactions have been revealed: water adsorption and diffusion in the Ti troughs, water dissociation in bridging oxygen vacancies, assembly of adsorbed water monomers into rapidly diffusing water dimers, and formation of water dimers by reduction of oxygen molecules. The STM results are rationalized based on DFT calculations, revealing the bonding geometries and reaction pathways of the water species on the TiO2 (110) surface.

引用

页码：423 / 430

页数：8

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