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) (a)–(d) The LDA-calculated total DOS of undoped TiO₂ and (V+N), (Nb+N), (Cr+C), and (Mo+C)-codoped TiO₂. (e) The band-structure comparison between pure TiO₂ and TiO₂: (Mo+C) calculated with LDA+U. Cited from Ref. [43].