光催化
钙钛矿(结构)
密度泛函理论
材料科学
吸附
氧气
载流子
化学
催化作用
光化学
光电子学
物理化学
计算化学
结晶学
生物化学
有机化学
作者
Zhao Zhao,Dandan Wang,Rui Gao,Guobin Wen,Ming Feng,Guangxin Song,Jianbing Zhu,Dan Luo,Huaqiao Tan,Xin Ge,Wei Zhang,Yujun Zhang,Lirong Zheng,Haibo Li,Zhongwei Chen
标识
DOI:10.1002/anie.202100726
摘要
Abstract Efficient coupling solar energy conversion and N 2 fixation by photocatalysis has been shown promising potentials. However, the unsatisfied yield rate of NH 3 curbs its forward application. Defective typical perovskite, BaTiO 3 , shows remarkable activity under an applied magnetic field for photocatalytic N 2 fixation with an NH 3 yield rate exceeding 1.93 mg L −1 h −1 . Through steered surface spin states and oxygen vacancies, the electromagnetic synergistic effect between the internal electric field and an external magnetic field is stimulated. X‐ray absorption spectroscopy and density functional theory calculations reveal the regulation of electronic and magnetic properties through manipulation of oxygen vacancies and inducement of Lorentz force and spin selectivity effect. The electromagnetic effect suppresses the recombination of photoexcited carriers in semiconducting nanomaterials, which acts synergistically to promote N 2 adsorption and activation while facilitating fast charge separation under UV‐vis irradiation.
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