期刊
JOURNAL OF SOLID STATE CHEMISTRY
卷 196, 期 -, 页码 157-160出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2012.06.013
关键词
Metal oxide; Semiconductor; Electronic structure; Water-splitting
资金
- EPSRC through the Doctoral Training Center in Sustainable Chemical Technologies [EP/G03768X/1]
- Royal Society University Research Fellowship scheme
- EPSRC [EP/F067496]
- EPSRC [EP/F067496/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/F067496/1] Funding Source: researchfish
TiO2 remains the most widely studied metal oxide for photocatalytic reactions. The standard approach to reduce the band gap of titania, for increasing the absorption of visible light, is anion modification. For example the formation of an oxynitride compound, where the nitrogen 2p states decrease the binding energy of the valence band. We demonstrate that cation modification can produce a similar effect through the formation of a ternary oxide combining Ti and an ns(2) cation, Sn(II). In Sn2TiO4, the underlying Ti 3d conduction states remain largely unmodified and an electronic band gap of 2.1 eV (590 nm) is predicted by hybrid density functional theory. Our analysis indicates a strong potential for Sn2TiO4 in visible-light driven photocatalysis, which should prove superior to the alternative (SnO2)(1-x)(TiO2)(x) solid-solution. (C) 2012 Elsevier Inc. All rights reserved.
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