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) Crystal structure and (b) band structure of SrCu2O2. Because the Cu d band has much higher energy than the O p orbital energy, the VBM energy of the Cu compound is much higher than that of conventional oxides, so it is easier to dope p-type. Cited from Ref. [32].