异质结
密度泛函理论
材料科学
光催化
催化作用
面(心理学)
碳纤维
化学工程
纳米技术
光电子学
化学
计算化学
复合数
复合材料
工程类
人格
五大性格特征
社会心理学
生物化学
心理学
作者
Xiaomei Cheng,Yuming Gu,Xiaoyu Zhang,Xiao‐Yao Dao,Shiqing Wang,Jing Ma,Jing Zhao,Wei‐Yin Sun
标识
DOI:10.1016/j.apcatb.2021.120524
摘要
Facet exposure affects photocatalytic CO2 reduction reaction, but the insight remains unclear. Here, we report finely controlled six types of MIL-125-NH2(Ti) exposing single and co-exposing mixed low-index facets as model catalysts and provide an insight into facet effect on photoreduction of CO2. Facet surface heterojunction endows MIL-125-NH2(Ti) with a broadened light-absorption and accelerated charge migration. The MIL-125-NH2(Ti) with {110}/{111}-heterojunction yields ca. 10 and 18 times enhanced CO2 reduction to CO and CH4 compared with the single {001} facet exposed. Density functional theory (DFT) calculations provide an energetically favorable CO2 catalytic reduction pathway and identify the rate-limiting step on different low-index facets. This work aims at exploring facet-effect on CO2 photoreduction, understanding the facet-dependence and providing a paradigm for MOFs materials by regulating facet to enhance the general surface catalytic reaction activity.
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