铁氧体尖晶石是最具潜力的太阳能光电催化分解水的光电极材料之一。然而，光电转化效率较低严重限制了该类材料的实际应用。通过调变阳离子失序程度来改善载流子传输特性是有望突破上述瓶颈的新策略。本项目拟采用热处理辅助的溶液合成方法，通过调控热处理条件，实现阳离子失序度调变的铁氧体尖晶石材料MFe2O4（M=Zn，Cu，Ni）的可控制备；并完善阳离子失序的同步辐射X射线吸收谱学（XAFS）研究方法，对阳离子失序度调变的铁氧体尖晶石的阳离子占位情况和局域原子配位结构进行全面深入研究，从而揭示阳离子失序对铁氧体尖晶石材料局域原子结构的影响机制；最后，通过光电化学性能测试和其它常规物理化学性质表征，并结合密度泛函理论计算，探明阳离子失序调变的铁氧体尖晶石的构效关系，为设计、开发高效的尖晶石光电催化材料提供新的思路。

Spinel ferrites is one of the most promising materials for photoelectrochemical (PEC) water splitting. However, the low solar-to-hydrogen (STH) conversion efficiency severely limits their practical applications. The crucial role of cations disorder in the improvement of carriers' transportation and the enhancement of photocurrent has been discovered in our previous work on ZnFe2O4. With this regard, this proposal aims to realize the controllable synthesis of spinel ferrites MFe2O4 (M=Zn, Cu, Ni) with different cations disorder degree by modulating the heat treatment conditions during the heat treatment-assisted solution synthetic process. Based on this, it is proposed to estimate the cations occupancies and investigate the local atomic coordination structure of spinel ferrites with different cations disorder degree through synchrotron radiation X-ray absorption fine structure (XAFS) spectroscopy. The effects of cations disorder on the local atomic structure of spinel ferrites will be revealed. Furthermore, through the PEC measurements, the conventional physical/chemical properties characterization and the density functional theory calculations, the relationship of structure-to-performance will be explored comprehensively. The work will provide new insights for the design and development of highly efficient spinel materials for PEC water splitting.