Abstract Electrocatalytic hydrogen evolution reaction (HER) in alkaline environments is one of the major energy conversion processes in water electrolysis technology. Very active and cost-effective catalysts are highly desirable for alkaline HER not only for its industrial value but also for its fundamental importance in studying all electrocatalytic reactions occurring on cathode electrodes. However, to date, the reaction mechanism of alkaline HER is still under debate, which makes the design of catalysts largely a trial-and-error process. To address this issue, here we present strategies for the design of alkaline HER catalysts based on the current knowledge of the reaction mechanism by emphasizing the connection between the atomic-level materials engineering and reaction fundamentals. Particularly, we focus on the improvement of the inherent electronic structure of the materials to achieve desired interactions between the catalysts and reactive intermediates. By showing several successful examples of both theoretical and experimental design strategies, we aim to provide direct guidelines toward the design of catalysts for HER under alkaline conditions.

中文翻译：

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碱性条件下析氢电催化剂的设计策略

摘要 碱性环境中的电催化析氢反应（HER）是水电解技术中主要的能量转换过程之一。非常有活性和成本效益的催化剂非常适合碱性 HER，不仅因为它的工业价值，而且因为它在研究阴极电极上发生的所有电催化反应中的根本重要性。然而，迄今为止，碱性HER的反应机理仍在争论中，这使得催化剂的设计在很大程度上是一个反复试验的过程。为了解决这个问题，我们在此基于当前对反应机理的了解，通过强调原子级材料工程与反应基础之间的联系，提出了碱性 HER 催化剂的设计策略。特别，我们专注于改进材料的固有电子结构，以实现催化剂和反应中间体之间所需的相互作用。通过展示理论和实验设计策略的几个成功例子，我们旨在为碱性条件下的 HER 催化剂设计提供直接指导。