Abstract The exploitation of highly efficient, low-cost, and stable electrocatalysts is a key issue of the broad application of green electrocatalytic reactions and efficient energy devices. Recently, modulating the surface structure of electrocatalysts to improve the catalytic activity has attracted a lot of attention. In particular, defect engineering is an important strategy to modulate the surface electronic structure of electrocatalysts. In this review, an overview of defects in metal, carbon materials, transition metal compounds, and defect-decorated catalysts is presented. The defect species, synthesis methods, characterization, and essential defect catalytic mechanism are introduced. Notably, tuning electronic structure to modulate the intermediates’ adsorption energy is highlighted throughout the review. Finally, the design principles for defect electrocatalysts are proposed. The in-depth understanding of the structure–reactivity relationship will provide more profound guidance for the design of defect electrocatalysts and potential application in energy conversion and green synthesis.

中文翻译：

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洞察缺陷电催化剂的设计：从电子结构到吸附能

摘要 开发高效、低成本、稳定的电催化剂是绿色电催化反应和高效能源装置广泛应用的关键问题。最近，调节电催化剂的表面结构以提高催化活性引起了很多关注。特别是，缺陷工程是调节电催化剂表面电子结构的重要策略。在这篇综述中，概述了金属、碳材料、过渡金属化合物和缺陷修饰催化剂中的缺陷。介绍了缺陷种类、合成方法、表征和基本缺陷催化机制。值得注意的是，整篇评论都强调了调整电子结构以调节中间体的吸附能。最后，提出了缺陷电催化剂的设计原则。对结构-反应性关系的深入理解将为缺陷电催化剂的设计以及在能量转换和绿色合成中的潜在应用提供更深刻的指导。