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) Atomic orbital energies of elements showing that O 2p state has very low energy due to the high electronegativity of oxygen, whereas Cu 3d orbital has much higher energy than O 2p orbital. Cited from Ref. [25].