Recent advances in non-noble metal-based metal-organic frameworks as electrocatalysts for water splitting: Challenges and future prospects

Abstract

Water electrolysis represents a pivotal pathway for green hydrogen production, offering exceptional product purity, operational simplicity, and zero pollutant emissions. However, it is hindered by the lack of electrocatalysts with both superior activity and prolonged durability. Transition metal-based metal-organic frameworks (TM-based MOFs) have garnered significant attention as attractive electrocatalyst candidates for conventional electrocatalysts, distinguished by their inexpensive metal constituents, substantial specific surface areas, and highly tunable pore structures. This review begins with a systematic introduction to the fundamental reaction mechanisms of TM-based MOFs in water electrolysis. Special emphasis is placed on the role of advanced operando characterization techniques in tracking dynamic structural evolution and transient reaction intermediates, while computational descriptors are further employed to establish quantitative relationships between electronic structure, adsorption energetics, and catalytic performance. Furthermore, this review comprehensively summarizes the latest advances in TM-based MOFs for water electrolysis with a focus on consolidating the principal strategies for augmenting their catalytic performance. Finally, this review identifies pivotal challenges for TM-based MOFs and provides targeted perspectives on future research. By integrating mechanistic insights with material design principles, this review aims to establish theoretical frameworks and strategic guidelines for accelerating the development of efficient electrocatalysts, ultimately facilitating sustainable hydrogen production via water electrolysis.