Band structure engineering and defect control of oxides for energy applications<xref rid="cpb_27_11_117104fn1" ref-type="fn">*</xref><fn id="cpb_27_11_117104fn1"><label>*</label><p>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).</p></fn>

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-Xiong^{1, 2}, Luo Jun-Wei^{1, 2}, Wei Su-Huai^{3, †}

(color online) In the ionic compound, the dangling bond states are close to the band edges so its defect levels are shallow. For the covalent compound, its dangling bond states are close to the center of the gap so its defect levels are deep. The left-hand side is the pseudo band structure of amorphous ZnO, which shows no deep gap state, consistent with the simple model.