Lattice Engineering of catalysts for Water Electrolysis and Hydrogen Fuel Cells

Abstract

Hydrogen has emerged as a pivotal energy vector for future low‐carbon systems, owing to its high energy density, zero carbon emissions and diverse applications. However, the efficiency, economic viability and sustainability of both hydrogen production and utilization hinge critically on advances in core catalytic materials. Lattice engineering, a frontier approach enabling atomic level structural control, systematically tunes crystal structures, strain fields, defect densities and interfaces to precisely regulate the electronic states and surface chemistry of catalysts, thereby enhancing catalytic performance. This review summarizes recent progress in the application of lattice engineering to hydrogen‐related electrocatalysis (HER/OER, HOR/ORR) in water splitting and fuel cells, elucidating how strain, doping, defect, phase, facet and interface engineering influence the electronic structure of catalysts. Representative examples demonstrate the significant improvements in activity, stability, and durability achieved by lattice engineering. Finally, we evaluate device‐level implementations of lattice‐engineered catalysts and outline future directions for hydrogen‐energy catalytic materials.