Iodine-Deficient BiOI Nanosheets with Lowered Valence Band Maximum To Enable Visible Light Photocatalytic Activity

被引:97
作者
Wang, Xuewen [1 ]
Zhou, Chengxi [1 ]
Yin, Lichang [2 ]
Zhang, Rongbin [1 ]
Liu, Gang [2 ,3 ]
机构
[1] Nanchang Univ, Coll Chem, Key Lab Jiangxi Prov Environm & Energy Catalysis, 999 Xuefu Rd, Nanchang 330031, Jiangxi, Peoples R China
[2] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China
[3] Univ Sci & Technol China, Sch Mat Sci & Engn, 72 Wenhua Rd, Shenyang 110016, Peoples R China
关键词
Iodine vacancy; BiOI; Photocatalyst; Visible light; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; OXYGEN VACANCY; ACTIVITY ENHANCEMENT; BISMUTH OXYIODIDE; SOLID-SOLUTIONS; BR; SURFACE; TIO2; CL;
D O I
10.1021/acssuschemeng.9b00548
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Bismuth oxyhalides with layered structures have emerged as an important class of photocatalysts but usually suffer from low activity largely due to their unfavorable band structures. Although point defects as typical electronic structure modifiers have been actively used to modify electronic structures of photocatalysts for high photocatalytic activity, the underlying role of halogen vacancies in improving activity of bismuth oxyhalides has been overlooked. In this study, we demonstrate the substantial role of iodine vacancies in enabling photocatalytic activity of BiOI as a model oxyhalide photocatalyst. It is found that iodine vacancies cause a 0.23 eV downward shift of the valence band maximum of BiOI but not much change in the bandgap. Such band structure modification leads to the formation of photogenerated holes with a stronger oxidative ability, which is favorable for photocatalysis with the holes induced half reaction as a rate-determining step. The results obtained might provide an important implication in designing highly efficient oxyhalide-based photocatalysts by controlling halogen vacancies.
引用
收藏
页码:7900 / 7907
页数:15
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