光降解
双酚A
降级(电信)
异质结
取代基
双酚
密度泛函理论
反应速率常数
材料科学
化学工程
光化学
化学
光催化
计算化学
催化作用
光电子学
动力学
有机化学
复合材料
计算机科学
物理
工程类
电信
环氧树脂
量子力学
作者
Chun‐Shuai Cao,Jingzhen Wang,Xiao-Yong Yu,Yinqing Zhang,Lingyan Zhu
标识
DOI:10.1016/j.apcatb.2020.119222
摘要
Bisphenol analogues have been widely used and displayed adverse effects on human beings. Although many photocatalysts displayed remarkable performance in degrading bisphenol A (BPA) or bisphenol F (BPF), it is not clear if they may also efficiently decompose other bisphenol analogues. In this study, Bi5O7I with satisfactory photocatalytic activity was doped with metal-organic framework (UiO-67) to build up Bi5O7I/UiO-67 heterojunctions. The heterojunction enhanced the charge mobility and separation of the electron-hole pairs, which was conducive for improving the photocatalytic activity. Consequently, 4:1-Bi5O7I/UiO-67 realized highly effective degradation of seven bisphenol analogues in one hour. Density functional theory (DFT) calculations uncovered that the reaction rate constant k displayed a positive correlation with the Hirshfeld charge q (N) of tertiary butyl carbon attached with different substituent groups. This provides a prospective heterojunction catalyst to degrade a group of pollutants with similar structures, and sheds light on the structural relationship of degradation efficiency.
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