Applications of Metal-Organic Frameworks (MOFs) in Hydrogen Storage: Mechanisms, Challenges, and Performance Enhancement Strategies

Hydrogen holds immense promise as a clean energy vector, but inadequate storage technologies limit its large-scale application. To address this, metal-organic frameworks (MOFs) have attracted substantial interest for solid-state storage, benefiting from their exceptional surface areas and highly tailorable structures. However, their performance at ambient temperature remains insufficient. This work reviews recent advances in the field of hydrogen storage using MOFs, with the aim of elucidating the relationship between structure and performance and providing guidance for targeted material design. Key factors affecting hydrogen storage are and the major practical challenges are summarized and three critical material design dimensions are proposed in this work: optimizing the specific surface area and pore structure; selecting and rationally doping metal centers; and constructing multifunctional composite systems. The underlying mechanisms and enhancement effects of MOF-based hydrogen storage at low and room temperature are also systematically discussed. Notably, metalion doping can effectively increase the adsorption enthalpy of a material and is a key method for improving hydrogen storage performance at ambient temperature. Further research is still needed for future development, and combining different modification methods will be necessary. Ultimately, this will help MOFs move from lab research to real engineering use in hydrogen storage and transport.