Charge Trapping at the Step Edges of TiO2 Anatase (101)

被引：92

作者：

Setvin, Martin ^{[1
,4
]}

Hao, Xianfeng ^{[1
]}

Daniel, Benjamin

Pavelec, Jiri ^{[1
]}

Novotny, Zbynek ^{[1
]}

Parkinson, Gareth S. ^{[1
]}

Schmid, Michael ^{[1
]}

Kresse, Georg ^{[2
,3
]}

Franchini, Cesare ^{[2
,3
]}

Diebold, Ulrike ^{[1
]}

机构：

[1] Vienna Univ Technol, Inst Angew Phys, A-1040 Vienna, Austria

[2] Univ Vienna, Fac Phys, A-1090 Vienna, Austria

[3] Univ Vienna, Ctr Computat Mat Sci, A-1090 Vienna, Austria

[4] Acad Sci Czech Republic, Inst Phys, Prague 16200, Czech Republic

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2014年 / 53卷 / 18期

基金：

奥地利科学基金会;

关键词：

adsorption; anatase; charge trapping; oxygen; surface chemistry; SURFACE SCIENCE; PHOTOCATALYSIS; TIO2(101); DEFECTS; OXYGEN;

D O I：

10.1002/anie.201309796

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A combination of photoemission, atomic force, and scanning tunneling microscopy/spectroscopy measurements shows that excess electrons in the TiO2 anatase (101) surface are trapped at step edges. Consequently, steps act as preferred adsorption sites for O-2. In density functional theory calculations electrons localize at clean step edges, this tendency is enhanced by O vacancies and hydroxylation. The results show the importance of defects for the wide-ranging applications of titania.

引用

页码：4714 / 4716

页数：3

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