Catalytic strategies and mechanisms for enhancing MgH2 solid-state hydrogen storage

MgH 2 offers a high gravimetric hydrogen capacity and earth-abundant chemistry, yet its practical deployment is blocked by a high dehydrogenation enthalpy and sluggish surface-controlled kinetics. Recent work has revealed a characteristic "burst effect," in which the first surface dehydrogenation step carries the highest barrier, while subsequent layers desorb much more easily. This perspective takes the burst effect as a unifying lens to examine how catalytic strategies reshape the initial surface step and, through it, the overall hydrogen-release behavior of MgH 2 . We summarize recent experimental advances in three major classes of catalysts and relate their performance to evolving atomistic mechanisms. We then discuss emerging theoretical tools, from density functional theory (DFT) calculations to machine learning interatomic potentials and descriptor-based models, that connect surface chemistry to macroscopic kinetics and enable theory-guided catalyst design. Finally, we outline key challenges and opportunities for translating burst-effect-aware design principles into practical Mg-based hydrogen storage systems.