Toward Understanding the Stability of Single‐Atom Catalysts in Oxygen Evolution Reactions

Enhancing the stability of single-atom catalysts for the oxygen evolution reaction hinges on understanding support interactions, local geometry, and structural dynamics. Transitioning to OH-modified surfaces offers a promising route to cap surface metals and prevent leaching, paving the way for the next generation of stable OER SACs.

Abstract

Single-atom catalysts (SACs) hold great promise for enhancing the efficiency of the oxygen evolution reaction (OER) by enabling precise control over atomic design and maximizing metal atom utilization. While recent reviews have primarily focused on structural regulation techniques to improve SAC stability, this review emphasizes the less explored but critical aspect of SAC stability. By examining stability and aggregation mechanisms, we complements design-focused perspectives with insights into stability prediction and experimental interdependencies. We highlight advances in SACs where metal atoms are coordinated through N and O moieties, identifying support interactions, electron number, and the stability number (S-number) as key stability descriptors. We also propose modified local geometries to mitigate aggregation and enhance stability. A comprehensive discussion of experimental validation, spectroscopy, molecular models, and computational studies provides a deeper understanding of the principles governing SAC stability. Future directions include exploring co-catalyst metal-support interactions, defects, and OH-modified surfaces to further improve stability, paving the way for the next generation of OER electrocatalysts.