期刊
SOLID-STATE ELECTRONICS
卷 184, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.sse.2021.108038
关键词
III-V semiconductors; DFT calculations; Heterojunctions; Thin films; TiO2
资金
- Italian Ministry of University and Research (MIUR) through the PRIN Project [20179337R7]
- grant Dipartimenti di Eccellenza - 2017 Materials For Energy
- COST (European Cooperation in Science and Technology) [18234]
The study shows that the interface formed by indium phosphide and titania thin films is stabilized by In-O and Ti-P chemical bonds, resulting in a staggered type-II heterojunction which has significant implications for photocatalysis.
We present a hybrid density-functional study of indium phosphide coated with titania subnanometric films. We modelled the InP phase with a 2.4 nm thick (110) slab, and studied the junctions formed with thin films of (101) and (001) anatase TiO2. In both cases, the interface is stabilized by In-O and Ti-P chemical bonds. By analysing the band edges alignment, one can see that in both cases a staggered type-II heterojunction is formed, with important implications for photocatalysis.
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