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DOI	10.1016/j.scib.2022.01.013
	Light-induced halogen defects as dynamic active sites for CO2 photoreduction to CO with 100% selectivity
	Shi X.; Dong X.; He Y.; Yan P.; Dong F.
发表日期	2022
英文摘要	Dynamic defects on halide perovskite materials, caused by ion dissociation and migration under light illumination, typically result in undesirable energy dissipation and limited energy conversion efficiency. However, in this work, we demonstrated that dynamic halogen defects generated by the same process in bismuth oxyhalide (Bi5O7Cl) materials can act as active sites to promote charge separation and photocatalytic efficiency. Mechanistic studies and density functional theory calculations revealed that dynamic Cl defects affected the electronic structure of Bi5O7Cl and photocatalytic CO2 reduction process. As active sites, these defects promoted charge transfer, leading to the activation of adsorbed CO2 molecules and reduction of the energy barrier of the rate-determining step. Thus, CO2 was spontaneously converted into COOH− intermediate and finally reduced to CO with a high efficiency of 108.60 μmol g−1 and selectivity of 100% after 4-h of CO2 photoreduction. This work is highly instructive and valuable to the exploration of dynamic defects on halide-containing materials applied in solar energy conversion. © 2022 Science China Press
英文关键词	Bi5O7Cl; Dynamic Cl defects; Photocatalytic CO2 reduction; Selectivity; Solar energy conversion
语种	英语
scopus关键词	Carbon dioxide; Charge transfer; Chlorine; Chlorine compounds; Conversion efficiency; Defects; Density functional theory; Electronic structure; Perovskite; Solar energy; Active site; CO 2 reduction; Dynamic cl defect; Halide perovskites; Light-induced; Photo reduction; Photo-catalytic; Photocatalytic CO2 reduction; Selectivity; Solar energy conversions; Bismuth compounds
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/251210
作者单位	Research Center for Environmental and Energy Catalysis, Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu, 611731, China; Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou, 313001, China; College of Architecture and Environment, Sichuan University, Chengdu, 610065, China
推荐引用方式 GB/T 7714	Shi X.,Dong X.,He Y.,et al. Light-induced halogen defects as dynamic active sites for CO2 photoreduction to CO with 100% selectivity[J],2022.
APA	Shi X.,Dong X.,He Y.,Yan P.,&Dong F..(2022).Light-induced halogen defects as dynamic active sites for CO2 photoreduction to CO with 100% selectivity.Science Bulletin.
MLA	Shi X.,et al."Light-induced halogen defects as dynamic active sites for CO2 photoreduction to CO with 100% selectivity".Science Bulletin (2022).