Theoretical and Experimental Aspects of Electrocatalysts for Oxygen Evolution Reaction

Abstract Scientists are increasingly paying attention to using theoretical design as a guide combined with modern in‐situ characterization techniques to develop catalysts with high activity, low cost, and long‐term life. The review discusses the progress of catalyst theoretical design and corresponding experiments based on three typical oxygen evolution catalytic mechanisms, including the adsorbate evolution, lattice oxygen‐mediated, and unconventional bifunctional mechanisms. This work briefly describes the commonly used tools and descriptors in theory as well as the electrochemical techniques and characterizations in experiments. Our purpose is to sort out the ways to closely integrate the theoretical method and experimental verification from the perspective of reaction mechanism, and to provide some experience reference for the future development of theoretical tools and experimental technologies.