Exploring the properties, types, and performance of atomic site catalysts in electrochemical hydrogen evolution reactions

Atomic site catalysts (ASCs) have recently gained prominence for their potential in the electrochemical hydrogen evolution reaction (HER) due to their exceptional activity, selectivity, and stability. ASCs with individual atoms dispersed on a support material, offer expanded surface areas and increased mass efficiency. This is because each atom in these catalysts serves as an active site, which enhances their catalytic activity. This review is focused on providing a detailed analysis of ASCs in the context of the HER. It will delve into their properties, types, and performance to provide a comprehensive understanding of their role in electrochemical HER processes. The introduction part underscores HER's significance in transitioning to sustainable energy sources and emphasizes the need for innovative catalysts like ASCs. The fundamentals of the HER section emphasizes the importance of understanding the HER and highlights the key role that catalysts play in HER. The review also explores the properties of ASCs with a specific emphasis on their atomic structure and categorizes the types based on their composition and structure. Within each category of ASCs, the review discusses their potential as catalysts for the HER. The performance section focuses on a thorough evaluation of ASCs in terms of their activity, selectivity, and stability in HER. The performance section assesses ASCs in terms of activity, selectivity, and stability, delving into reaction mechanisms via experimental and theoretical approaches, including density functional theory (DFT) studies. The review concludes by addressing ASC-related challenges in HER and proposing future research directions, aiming to inspire further innovation in sustainable catalysts for electrochemical HER.