First-principle study on anatase TiO2 codoped with nitrogen and ytterbium
- 期刊名称：Journal of Semiconductors
- 时间：0
- 页码：1-6
- 语言：英文
- 分类：O641.121[理学—物理化学;理学—化学] TQ134.11[化学工程—无机化工]
- 作者机构：[1]Yunnan Key Laboratory of Nanomaterials & Technology, Yunnan University, Kunming 650091, China, [2]Department of Physics and Electric Information Engineering, Hunan City University, Yiyang 413000, China
- 相关基金：Project supported by the National Natural Science Foundation of China （No.50862009）, the New Century Excellent Talents in University of Ministry of Education, China （No. NCET-04-0915）. The authors would like to thank the High Performance Computer Center of Yunnan University for providing software and hardware support in our calculations.
- 相关项目：掺杂锐钛矿相TiO2光催化材料的第一性原理研究
关键词：
二氧化钛, 镱掺杂, 锐钛矿, 第一原理, 共掺杂, 氮, 密度泛函理论, TiO2, YiO2, N＋Yb-doped, first-principle
中文摘要：
Corresponding author. Email： qjliu@ynu.edu.cn
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