Atomic Molybdenum Nanomaterials for Electrocatalysis

Abstract As a sustainable energy technology, electrocatalytic energy conversion requires electrocatalysts, which greatly motivates the exploitation of high‐performance electrocatalysts based on nonprecious metals. Molybdenum‐based nanomaterials have demonstrated promise as electrocatalysts because of their unique physiochemical and electronic properties. Among them, atomic Mo catalysts, also called Mo‐based single‐atom catalysts (Mo‐SACs), have the most accessible active sites and tunable microenvironments and are thrivingly explored in various electrochemical conversion reactions. A timely review of such rapidly developing topics is necessary to provide guidance for further exploration of optimized Mo‐SACs toward electrochemical energy technologies. In this review, recent advances in the synthetic strategies for Mo‐SACs are highlighted, focusing on the microenvironment engineering of Mo atoms. Then, the representative achievements of their applications in various electrocatalytic reactions involving the N₂, H₂O, and CO₂ cycles are summarized by combining experimental and computational results. Finally, prospects for the future development of Mo‐SACs in electrocatalysis are provided and the key challenges that require further investigation and optimization are highlighted.