Band structure engineering and defect control of oxides for energy applications*

Project supported by the National Key Research and Development Program of China (Grant No. 2016YFB0700700), the Science Challenge Project, China (Grant No. TZ20160003), and the National Natural Science Foundation of China (Grant Nos. 51672023, 11474273, 11634003, and U1530401). H. X. D. was also supported by the Youth Innovation Promotion Association of Chinese Academy of Sciences (Grant No. 2017154).

Deng Hui-Xiong1, 2, Luo Jun-Wei1, 2, Wei Su-Huai3, †
       

(color online) (a), (b) Density of states and (c) electronic band structure of BiVO4 showing that due to the Bi 6s and O 2p interaction, the VBM state is pushed up in energy and becomes more delocalized, so it is easier to dope p-type. Cited from Ref. [34].