电解水作为清洁电能转化与氢能制备的重要技术，其发展主要受制于阳极氧析出反应迟滞的反应动力学，需要设计合理的催化剂表面结构提升反应效率。基于3d过渡金属发展的催化剂被广泛应用于氧析出反应中，然而，在氧析出反应的高电位环境中，催化剂表面结构通常会发生电化学重构，缺乏对催化剂表面重构结构的有效控制成为当前制约催化剂效率的关键问题。为了改善这一现状，申请人在本项目中拟发展一套单分散离子取代技术和一套单分散离子修饰技术，用以对过渡金属硒化物的表面配位结构进行精确设计，在此基础上，跟踪具有特定表面配位环境的硒化物在氧析出反应条件下的结构演化，探究引入元素对硒化物表面电化学重构结构的设计与调控机制；同时，理解重构表面结构在催化过程中的分子反应机制，准确揭示重构结构在催化氧析出反应中的构效关系规律，开发出具有可控催化表面结构的高效氧析出反应催化剂。

Water splitting represents one of the most important technologies for clean electricity conversion and hydrogen generation. The development is limited due to the sluggish kinetics of oxygen evolution reaction (OER) at the anode. Reasonable design of the surface structures of catalysts is highly needed to elevate the OER efficiency. Catalysts based on 3d transition metal elements have been widely developed for electrocatalytic OER. However, due to the larger coverage range of applied OER potential than the redox potential range of catalysts, the surfaces of these catalysts always undergo a dynamic reconstruction under OER conditions, resulting in the uncontrollable surface structures and catalytic performance of catalysts. .Herein, by using metal selenides as the platform, we propose to address this problem through precisely controlling the coordination structures of metal selenides via the isolated metal ion exchange or decoration strategy. Then, through monitoring the surface reconstruction of well-confined selenide structures under OER conditions, we will reveal the effects of introduced heteroatoms and realize the reasonable design of reconstructed surface structures of catalysts. Meanwhile, we will evaluate the electrocatalytic OER properties and reaction mechanism of the catalysts with well-reconstructed surfaces, providing the intrinsic relationship between the reconstructed surfaces of catalysts and catalytic performance at atomic level. .This research will provide the essential knowledge and design rules for the reconstructed structures of catalysts under electrocatalytic OER conditions, making it available to develop highly efficient electrocatalysts with reasonable design of catalytic surfaces for OER.