Unlocking Catalytic Potential in Electrochemical Energy Transformations by Strain Engineering

Abstract

Transition metals serve as pivotal electrocatalysts dueto tunable electronic structures and adsorption properties. Strain modulation emerges as a powerful strategy to tailor their electronic configurations (e.g., d‐band center, surface energy) and adsorption behaviors, thereby optimizing reaction kinetics, product selectivity, and durability in different electrochemical processes. This review summarizes structural and theoretical advances in strain engineering for key electrochemical reactions, including hydrogen evolution, oxygen reduction, and CO 2 reduction. In particular, different crystal facets exhibit distinct electrocatalytic performances, which are closely associated with facet‐dependent strain, as strain modulations vary significantly across different facets. These facet‐dependent strain effects highlight the critical role of surface structure, while density functional theory calculations and experimental techniques (e.g., epitaxial growth, mechanical deformation) provide mechanistic insights. Current challenges in nanoscale strain control and future opportunities for efficient electrocatalyst design toward sustainable energy are also outlined. This review offers significant insights into strain engineering, opening more opportunities for developing catalysts that enhance sustainable energyapplications.