Dual-Atom Catalysts with Microenvironment Regulation for Water Electrolysis

Abstract

Dual-atom catalysts (DACs) have emerged as highly promising and efficient catalysts for water electrolysis, primarily due to their distinct dual-atom site effects. Optimizing the catalytic performance of DACs involves precise regulation of their microenvironment, encompassing elemental compositions, electronic distributions, geometric configurations, and coordination environment. Despite growing research interests, a comprehensive understanding of how these microenvironmental regulations impact DAC performance remains elusive. This review seeks to elucidate the influence of microenvironmental regulation on the efficiency of DACs in water electrolysis. We begin by categorizing DACs into three types based on their dual-atom configurations: homonuclear, heteronuclear, and molecular, followed by specific analyses of the different connection modes between dual-atom sites. Subsequently, we provide a comprehensive overview of the relationships between microenvironment regulation and the resulting properties of DACs, highlighting the elemental, electronic, geometric, and coordination effects. Additionally, we review recent research and theoretical advancements in water electrolysis applications of DACs under various pH conditions, demonstrating how microenvironment regulation enhances their catalytic performances. We conclude by discussing the challenges and prospects of DACs, offering insights into potential future research directions.