The Jahn‐Teller Effect: A Significant Influence on Single‐Atom Sites Catalysts for CO 2 Photoreduction

Abstract The pursuit of efficient photocatalytic materials has gained momentum because of increasing concerns over climate change and the urgent need for sustainable energy solutions. The Jahn–Teller effect is a fundamental phenomenon prevalent in metal complexes and exerts a significant influence on the design and performance of catalytic systems. It affects the redistribution of d‐orbital electrons, thus impacting electron transfer efficiency, the stability of reaction intermediates, and the adsorption energies of reactants, ultimately resulting in enhanced catalytic efficiency. This concept systematically discusses the mechanisms underlying the Jahn‐Teller effect and its implications for catalytic activity, with a particular emphasis on photocatalytic CO 2 reduction. We discuss various strategies aimed at optimizing the stability and activity of single‐atom site catalysts through the rational exploitation of Jahn–Teller twisting effects. Furthermore, we highlight recent advancements in this field and propose future research directions, underscoring the potential of engineered Jahn–Teller sites to significantly enhance the efficiency of photocatalytic CO 2 reduction.