Recent advances in modification methods for LiBH₄-based hydrogen storage materials

Composite modification strategies and research progress in the LiBH₄ hydrogen storage system, a promising material with high gravimetric (18.4 wt%) and volumetric (121 kg/m³) hydrogen densities, yet limited by high release temperatures, poor kinetics, and insufficient reversibility, were reviewed. While individual approaches like reactant destabilization, ion substitution, catalytic modification, and nanoconfinement have been explored, however, the impact of using a single method to modify LiBH₄ is limited. Recent studies focus on composite modifications to synergistically enhance performance. The paper evaluates these combined strategies, highlighting synergistic mechanisms and their effects. Additionally, the roles played by theoretical methods such as first-principles calculations, machine learning, and genetic algorithms in catalyst selection, interface design, and reaction pathway prediction, are specifically discussed. We summarized the limitations of single-method modifications, advantages of composite approaches, and remaining challenges, while outlining future directions to address practical application barriers and guide the design of advanced hydrogen storage systems.