期刊
PHYSICAL REVIEW B
卷 75, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.75.035105
关键词
-
资金
- Engineering and Physical Sciences Research Council [GR/S07131/01] Funding Source: researchfish
A comparison of the electronic structure of rutile (110), anatase (101), and anatase (001) single-crystal surfaces has been made using resonant photoemission and x-ray absorption spectroscopy. Under identical preparative conditions, the anatase (101) surface shows the lowest Ti 3d and 4sp hybridization in the states close to the valence-band maximum of the three surfaces. It also shows the highest concentration of surface-oxygen vacancies. The effect on the electronic structure of modifying the surface preparative route and thus the concentration of surface-oxygen vacancies is examined. The sigma-antibonding Ti 3d e(g)/O 2p hybridization (probed by XAS) is reduced by the removal of surface-oxygen. Photoemission shows that as the number of surface-defects is increased, the O 2p-Ti 3d t(2g) pi-bonding interaction is disrupted. For the anatase (101) surface it is found that as the number of surface-oxygen vacancies is increased, the Ti 3d and 4sp contributions at the valence-band maximum are reduced. We discuss the correlation between electronic structure and photocatalytic activity of the different polymorphs of TiO2.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据