针对过渡金属催化剂电子结构的调控研究对阐释析氧反应（OER）催化机理具有重要意义。作为一种新兴技术，外磁场对碱性OER显著增强的效果引发了广泛关注，然而目前仍缺乏对其机理的深入研究。为此本项目提出通过缺陷工程与界面工程构筑富氧空位的FeOx/Ni2P磁性纳米异质结，系统研究材料的合成条件对于氧空位浓度、分布以及异质结形貌、结构的调控机制；建立氧空位和异质结界面的结构与外磁场下碱性OER活性的构效关系；借助表征分析与模拟计算，重点考察氧空位与异质结界面各组分基元对催化活性位点电荷转移过程与电子自旋态的调控机制，最终揭示外磁场作用下富氧空位FeOx/Ni2P磁性纳米异质结的碱性OER增强机理。本项目为深入理解过渡金属催化剂在外磁场作用下的电子结构调控机制与催化机理奠定基础，也为开发与外磁场相匹配的高性能析氧催化剂提供新的方法与理论依据。

The regulation study on the electronic structure of transition metal catalysts is of great significance to elucidate the catalytic mechanism of oxygen evolution reaction (OER). As an emerging technology, the enhanced effect of external magnetic field on alkaline OER has attracted wide attention. For this reason, this project proposes to construct FeOx/Ni2P magnetic nano-heterojunction with oxygen vacancies through defect engineering and interface engineering, and to systematically study the regulation mechanism of the synthesis conditions on the concentration and distribution of oxygen vacancies, as well as on the morphology and structure of heterojunction. The structure-activity relationship between oxygen vacancy, heterojunction and OER activity under external magnetic field will be established. By means of characterization analysis and simulation calculation, the regulation mechanism of each component element at the interface of heterojunction on the catalytic active site charge transfer process and electron spin state will be mainly investigated, and finally the catalytic enhancement mechanism of the external magnetic field on the metal oxide-phosphide heterojunction with oxygen vacancies is to be revealed. This project will lay the foundation for in-depth understanding of the electronic structure regulation mechanism and catalytic mechanism of transition metal catalysts under the external magnetic field, and also will provide a new method and theoretical basis for the development of high-performance OER catalysts matching the external magnetic field.