光催化
锐钛矿
金红石
材料科学
化学工程
吸附
激进的
纳米复合材料
带隙
Crystal(编程语言)
纳米技术
光化学
化学
催化作用
物理化学
有机化学
光电子学
工程类
程序设计语言
计算机科学
作者
Feihong Wang,Qi Zhao,Hongpeng Liu,Qiangshun Wu,Luyan Zhang,Yudong Li,Liang Qiao,Ye Yuan,Jun Ma,Panpan Wang,Tian-Ming Chen
标识
DOI:10.1016/j.cej.2024.148855
摘要
Chlorophenolic pollutants pose serious threats to the aquatic ecosystem. Photocatalysis technology has broad prospects for decontamination. In this work, MXene-derived TiO2 nanocomposites with mixed-crystal characteristics and oxygen vacancies (OVs) (E–TiO2@rGO) were successfully synthesized by atmosphere modulation. Compared with commercial TiO2 and N2–TiO2@rGO (anatase phase), the rate constants of E–TiO2@rGO (0.06874 min−1) over 2,4,6-trichlorophenol (2,4,6-TCP) degradation increased 4 and 1.3 times, respectively. The enhanced photocatalytic performance was attributed to the co-existence of anatase and rutile phases. On the one hand, the mixed-crystal phase narrowed the band gap, broadening the light absorption range. On the other hand, it induced the generation of OVs, which has been demonstrated by DFT calculation. The presence of OVs improved the adsorption and activation of O2 and H2O molecules, beneficial for the formation of active free radicals. In addition, the incorporation of rGO promoted the separation of electron-hole pairs. The Gibbs free energy of 2,4,6-TCP degradation revealed that the OVs and mixed-crystal could reduce the energy barrier of the rate-determining step, thereby boosting the dichlorination efficiency of 2,4,6-TCP. The superoxide free radical (O2−) was determined as the dominant active species. Finally, a possible mechanism of 2,4,6-TCP degradation with E–TiO2@rGO was clarified clearly. The proposed mixed-crystal defect engineering represents a novel strategy in the design and synthesis of photocatalysts.
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