Recent advances in the synthesis methods, modification strategies, and performance optimization of metal-organic frameworks for hydrogen storage

The ultimate practical goal is to achieve high-capacity hydrogen storage at room temperature. Metal-organic frameworks (MOFs) demonstrate significant potential for solid-state hydrogen storage, yet their room-temperature hydrogen storage remains far below practical targets due to weak H 2 –framework interactions. Therefore, understanding the structural-activity relationships of MOFs for hydrogen storage at different conditions is of great importance for the rational design of MOFs. The entire chain of MOF-based hydrogen storage materials is systematically discussed. First, the fundamental characteristics of MOFs are outlined. Various MOFs synthesis methods, including solvothermal, microwave-assisted, ultrasound-assisted, mechanochemical, and electrochemical, are assessed for scalability, cost, and reproducibility. Subsequently, four hydrogen storage mechanisms, including physisorption, chemisorption, Kubas interaction, and hydrogen spillover, are compared. Moreover, performance enhancement strategies are summarized, encompassing structural engineering, post-synthetic modification, composite material construction, and theory and data-driven design. Critically, the key challenges currently facing MOF-based hydrogen storage are identified, and future research directions are proposed.