Tailoring Bond Microenvironments and Reaction Pathways of Single-Atom Catalysts for Efficient Water Electrolysis

Single-atom sites (SASs) are commonly stabilized and influenced by neighboring atoms in the host; disclosing the structure-reactivity relationships of SASs in water electrolysis is one of the grand challenges originating from the tremendous wealth of support materials with complex structures. Through a multidisciplinary view of the design principles, synthesis strategies, characterization techniques, and theoretical analysis of structure-performance correlations, this timely Review is dedicated to summarizing the most recent progress in tailoring bond microenvironments on different supports and discussing the reaction pathways and performance advantages of different SAS structures for water electrolysis. The essence and mechanisms of how SAS structures influence electrocatalysis and the critical requirements for future developments are discussed. Finally, the challenges and perspectives are also provided to stimulate the practical, widespread utilization of SAS catalysts in water-splitting electrolyzers.

Automated summary

This review summarizes the recent progress in tailoring bond microenvironments on different supports and discusses the reaction pathways and performance advantages of different single-atom sites (SASs) structures for water electrolysis. The essence and mechanisms of how SAS structures influence electrocatalysis and the critical requirements for future developments are also discussed. Challenges and perspectives are provided to stimulate the practical and widespread utilization of SAS catalysts in water-splitting electrolyzers.