反键分子轨道
催化作用
光催化
材料科学
电子
光化学
氮气
吸附
固氮
氨
化学
原子轨道
物理化学
有机化学
量子力学
物理
作者
Yang Liu,Zhuofeng Hu,Jimmy C. Yu
标识
DOI:10.1021/acs.chemmater.9b04448
摘要
Photocatalytic conversion of nitrogen (N2) to ammonia (NH3) requires strong binding of N2 onto the catalyst surface and the generation of photoexcited electrons to activate the N≡N bond. In this study, Fe is doped into BiOBr nanosheets, where the photoexcited electrons have enough energy to break the N≡N bond. The presence of Fe induces the formation of oxygen vacancies (OVs) in its vicinity, making it a photoexcited electron-rich region. The reduced Fe species effectively donates its available 3d orbital electron into the π N–N antibonding orbital to activate the adsorbed N2. With Fe as the active site, the N2 fixation rate of Fe-doped BiOBr is enhanced by eight times. This work provides a sustainable alternative for N2 photofixation and strategies for the catalyst design.
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