Metal–Organic Frameworks and Alloy-Based Materials for Hydrogen Energy: Catalysis, Storage, and Conversion

BackgroundMetal–organic frameworks (MOFs) and alloy based materials have emerged as highly tunable platforms for hydrogen energy technologies. MOFs offer crystalline porosity, atomically precise active sites, and the ability to incorporate functional linkers or metal nodes for catalytic and sorptive applications. Alloy catalysts—ranging from noble-metal alloys (e.g., PtNi, PdAu) to earth abundant transition metal alloys (e.g., NiMo, FeCo)—provide electronic and geometric effects that optimize hydrogen evolution/oxidation reactions and hydrogen storage thermodynamics. Intermetallic hydrides (e.g., Mg₂Ni, LaNi₅) remain benchmarks for reversible solid state hydrogen storage.Recent advances in synthetic control, defect engineering, and in situ characterization have enabled the design of MOF-alloy hybrids, core–shell nanostructures, and high-entropy alloys for enhanced performance. Nevertheless, challenges persist in long-term cycling stability, scalable and green synthesis, mechanistic understanding of hydrogen spillover and hydride formation, and integration into practical devices such as electrolyzers, fuel cells, and storage tanks.This Research Topic focuses on the rational design, synthesis, and application of MOFs and alloy based materials across the hydrogen value chain. Particular emphasis is placed on:• MOF derived and alloy catalysts for hydrogen production – water splitting (OER/HER), photocatalytic and electrocatalytic hydrogen evolution, and biomass reforming.• Hydrogen storage materials – MOFs for physisorption, intermetallic and complex hydrides for chemisorption, and MOF confined alloy nanoparticles to tune sorption kinetics.• Hydrogen conversion and fuel cell technologies – alloy anodes/cathodes for PEMFCs, MOF-based proton conductors, and integrated catalytic membranes.• Structural and defect engineering – linker functionalization, missing-node defects in MOFs, and grain boundary/phase engineering in alloys to optimize active sites and mass transport.• Computational and operando studies – DFT, molecular simulation, machine learning, and in situ/operando spectroscopy (XAS, NMR, TEM) to unravel structure–property–performance relationships.We welcome Original Research, Reviews, Mini Reviews, Perspectives, and Editorials that provide fundamental insights or application-oriented advances in material design, interfacial phenomena, and device integration for hydrogen energy. Topic editors: Song Li, Miao Wang, Xiaoxiao Xia Source: https://www.frontiersin.org/research-topics/80840/metal-organic-frameworks-and-alloy-based-materials-for-hydrogen-energy-catalysis-storage-and-conversion