TiO₂ band restructuring by B and P dopants

• المؤلفون الرئيسيون: Sun, Chang Qing, Li, Lei, Meng, Fanling, Hu, Xiaoying, Qiao, Liang, Tian, Hongwei, Zheng, Weitao
• مؤلفون آخرون: Lisesivdin, Sefer Bora
• التنسيق: مقال
• اللغة: English
• منشور في: 2018
• الموضوعات: Titanium Dioxide; DRNTU::Engineering::Electrical and electronic engineering; Chemical Reaction
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/88320; http://hdl.handle.net/10220/46911
• المؤسسة: Nanyang Technological University

An examination of the effect of B- and P-doping and codoping on the electronic structure of anatase TiO₂ by performing density functional theory calculations revealed the following: (i) B- or P-doping effects are similar to atomic undercoordination effects on local bond relaxation and core electron...