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) The band offsets (at the Г point) for TiO2 and TiO2 alloyed with various passivated donor–acceptor combinations in the (a) low-concentration and (b) high-concentration regimes. The CBM of pure TiO2 is set to zero as the reference. Cited from Ref. [45].