期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 14, 期 6, 页码 1876-1880出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp23348g
关键词
-
资金
- Japan Society for the Promotion of Science KAKENHI [21760030]
- JST PRESTO
We used hybrid density-functional calculations to clarify the effect of substituting chromium for titanium (Cr-Ti) on photocatalytic activities of Cr-doped SrTiO3. A singly negative Cr-Ti(-), which is relevant to a lower oxidation state of Cr, is advantageous for the visible light absorption without forming electron trapping centers, while other charge states are inactive for the photocatalytic reaction. Stabilizing the desirable charge state (Cr-Ti(-)) is feasible by shifting the Fermi level towards the conduction band. Our theory sheds light on the photocatalytic properties of metal-doped semiconductors.
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