Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface

被引：10
|
作者：
Nolan, Michael [1 ]
Mulley, James S. [2 ]
Bennett, Roger A. [2 ,3 ]
机构：
[1] Tyndall Natl Inst, Cork, Ireland
[2] Univ Reading, Dept Phys, Whiteknights RG6 6AF, England
[3] Univ Reading, Dept Chem, Whiteknights RG6 6AF, England
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2009年 / 11卷 / 13期
基金：
爱尔兰科学基金会;
关键词：
ELECTRONIC-STRUCTURE; CHROMIUM; TIO2; OXYGEN; FILM; XPS; SPECTROSCOPY; DEPOSITION; GROWTH; OXIDES;
D O I：
10.1039/b819724e
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：
The rutile TiO2(110) surface has been doped with sub-monolayer metallic Cr, which oxidises and donates charge to specific surface Ti ions. X-Ray and ultra violet photoemission spectroscopy and first principles density functional theory with Hubbard U are used to assign the oxidation states of Cr and surface Ti and we find that Cr2+ forms on bridging oxygen ions and a 5-fold coordinated surface Ti atom is reduced to Ti3+ and the Cr ions readily react with oxygen (to Cr3+), which leads to depletion of surface Ti3+ 3d electrons.
引用
收藏
页码：2156 / 2160
页数：5
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