光降解
污染物
选择性
催化作用
化学
光化学
密度泛函理论
碳纤维
激进的
材料科学
光催化
有机化学
计算化学
复合数
复合材料
作者
Lingling Zheng,Lei Tian,Longshuai Zhang,Jian Yu,Ying Chen,Qian Fu,Xiao-Zhen Liu,Daishe Wu,Jian‐Ping Zou
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2024-01-25
卷期号:14 (4): 2134-2143
被引量:67
标识
DOI:10.1021/acscatal.3c04820
摘要
The waste of carbon sources and greenhouse gas production during wastewater treatment have become extremely important environmental issues. Herein, the BiOBr/BiVO 4 compounds with defect-induced frustrated Lewis acid–base pairs (DFLPs) and internal charge transfer were fabricated to convert the organic pollutants into CO with nearly 100% selectivity. The oxygen vacancy (O v ) induced the built-in electric field in BiOBr/BiVO 4 to create directional charge transfer from BiOBr to BiVO 4 . Density functional theory (DFT) calculations prove that the O v combines its adjacent hydroxyls to form the DFLP active sites that can additionally capture and activate CO 2 . Meanwhile, the active sites in BiOBr/BiVO 4 reduce the formation-free energy of the COOH* intermediates, which is the key rate-limiting step to convert CO 2 to CO with high selectivity. This system has achieved selective conversion of value-added chemicals from organic pollutant degradation and provides a theoretical basis for actual wastewater recycling of carbon sources.
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