Jahn-Teller Distortion for Oxygen Evolution Reaction: From Fundamental Insights to Catalyst Design

Abstract

Overall efficiency of water electrolysis is largely hindered by the high energy demand of the oxygen evolution reaction (OER). Overcoming this bottleneck is essential for the development of an energy-efficient and practical water electrolyzer. Among the various factors influencing the catalytic activity of transition metal-based catalysts, geometric distortions play a crucial role. One of the most significant phenomena is the Jahn-Teller distortion, a structural alteration arising from electronic degeneracy in certain metal centers. This effect, observed in metal ions such as Mn 3+, Co 3+ , Ni3+ , and Cu 2+, induces asymmetric coordination of surrounding ligands, which in turn modifies both the electronic configuration and catalytic behavior of the active sites. Recent studies have highlighted the impact of Jahn-Teller distortion in transition metal-based catalysts on tuning OER performance, as it governs the stabilization of key reaction intermediates at the catalyst surface. This review consolidates recent progress on the electrocatalysts where Jahn-Teller distortion is prominent, with a focus on its correlation with oxygen evolution activity. In addition, both experimental insights and theoretical perspectives are examined to provide a deeper understanding of the phenomenon. Molecular orbital diagrams are employed to illustrate the electronic origins of distortion in transition metal-based catalysts, offering a conceptual framework for interpreting catalytic behavior. Overall, this review provides a comprehensive study on the role of Jahn-Teller distortion in OER, aiming to guide future strategies in catalyst design and optimization.