Metal–organic frameworks for high-efficiency solid-state hydrogen storage: Design, synthesis, regulation, and prospects

Abstract

Developing high-efficiency solid-state hydrogen storage materials becomes crucial as hydrogen energy's strategic role in achieving carbon neutrality grows. Metal–organic frameworks (MOFs) with advantages such as high specific surface area, good stability, diverse and customizable structures, which were awarded the 2025 Nobel Prize, have become a research focus in international hydrogen storage. Although MOFs show good hydrogen storage at low temperatures, their ambient-temperature performance is unsatisfactory, mainly due to the weak interaction between hydrogen gas and MOFs. Thus, it is crucial to design and construct efficient hydrogen storage MOFs and regulate their performance based on a deep understanding of their microstructures and hydrogen molecule interactions. This paper reviews the current research on MOFs' hydrogen storage design, synthesis, and performance regulation, and prospects their future development. It focuses on metal centers, organic ligands, MOFs' topological structures, and hydrogen storage research progress and applications at low and ambient temperatures. Analysis shows that MOFs' pore structures are the core of hydrogen storage. The electronic properties of metal centers and organic ligands significantly affect hydrogen adsorption. Precisely controlling pore structures, designing pore sizes, and regulating metal centers and organic ligands are key to efficient hydrogen storage in MOFs. Enhancement of the interaction between MOFs and hydrogen molecules can be achieved by introducing open metal sites, functionalized organic ligands, or nanoparticles so as to improve storage performance. For the application prospects and future of MOFs' hydrogen storage research, it is suggested to continuously conduct fundamental and technological research in AI-driven hydrogen-storage MOFs' design, performance improvement, large-scale low-cost preparation, and expanded applications. This review offers theoretical support for efficient hydrogen storage MOFs construction and promotes efficient and safe hydrogen energy storage and transportation.