Mechanistic Insights and Design Principles for Catalytic Interface Engineering in Water Electrolysis

Abstract

Water electrolysis is a key technology for renewable hydrogen production, yet its efficiency and durability remain constrained by the multistep kinetics of the hydrogen and oxygen evolution reactions and by catalyst degradation under operating conditions. Interface engineering has emerged as a powerful strategy for addressing these limitations by regulating local electronic structures, adsorption energetics, intermediate transport, and structural evolution at heterointerfaces. This review presents a mechanistic perspective on interface-engineered electrocatalysts by organizing recent advances according to the elementary steps and reaction pathways regulated by catalytic interfaces, rather than by catalyst composition or material class. Particular emphasis is placed on how interfacial charge redistribution, complementary active sites, intermediate migration, and dynamic structural evolution collectively govern catalytic activity and stability. Across these studies, effective interfaces must coordinate multiple kinetic and thermodynamic functions while preserving structural integrity and accessibility under relevant operating conditions. Key challenges arise from the dynamic and heterogeneous nature of working interfaces and the persistent gap between intrinsic catalyst activity and device-level performance. This review establishes mechanistic design principles for developing efficient, durable, and practically relevant interface-engineered electrocatalysts for water electrolysis.