Electrocatalytic water splitting for green hydrogen generation is of great significance for renewable energy conversion and storage. The development of efficient electrocatalysts to reduce the energy barriers of the two half-reactions of hydrogen evolution (HER) and oxygen evolution (OER) is the key to realize the high-efficiency industrialization of electrochemical water splitting. With the continuous investment of research efforts, diverse transition metal-based catalysts have flourished, and their dynamic structural reconstruction during electrocatalytic OER and HER has also been pushed into a research upsurge. Since most transition metal compounds are thermodynamically unstable under electrochemical OER or HER conditions, they tend to undergo dynamic structural evolution to reach a relatively stable state, whereby the in situ reconstructed surface as the real reactivity species induces the changes in catalytic activity, which brings challenges to understanding the real catalytic mechanism and also motivates the development of surface reconstruction as a novel strategy to design superior heterostructure catalysts. At present, how to rationally utilize surface reconstruction to achieve breakthroughs in catalytic performance has become a critical focus area. This review summarizes the recent progress of surface reconstruction-derived heterostructures for electrocatalytic OER and HER, highlighting the fundamental understanding of surface reconstruction behaviors, the correlation between the intrinsic structure and dynamic reconstruction process of pristine catalysts, and some possible catalytic mechanisms that responsible for the enhanced catalytic activity. Moreover, several instructive design strategies of catalysts for modulating structural reconstruction to obtain optimized activity including heteroatom doping/substitution, anion/cation induction, structural defects, and heterostructure construction, are then introduced. Finally, we put forward the challenges and outlooks for surface reconstruction engineering, providing new insights and directions for future research development.

用于绿色制氢的电催化水分解对于可再生能源的转化和储存具有重要意义。开发高效电催化剂以降低析氢（HER）和析氧（OER）两个半反应的能垒是实现电化学水分解高效工业化的关键。随着研究工作的不断投入，各种过渡金属基催化剂蓬勃发展，其在电催化OER和HER过程中的动态结构重构也被推向研究热潮。由于大多数过渡金属化合物在电化学 OER 或 HER 条件下是热力学不稳定的，因此它们往往会经历动态结构演变以达到相对稳定的状态，由此原位重建表面作为真正的反应物种引起催化活性的变化，这给理解真正的催化机制带来了挑战，也推动了表面重建作为设计优质异质结构催化剂的新策略的发展。目前，如何合理利用表面重构实现催化性能的突破已成为研究热点。本综述总结了用于电催化 OER 和 HER 的表面重构衍生异质结构的最新进展，强调了表面重构行为的基本理解，原始催化剂的本征结构与动态重构过程之间的相关性，以及一些可能导致催化活性增强的催化机制。此外，还介绍了几种具有指导意义的催化剂设计策略，用于调节结构重构以获得优化的活性，包括杂原子掺杂/取代、阴离子/阳离子诱导、结构缺陷和异质结构构建。最后，我们提出了表面重建工程面临的挑战和展望，为未来的研究发展提供了新的见解和方向。