LiBH₄ is of great potential as hydrogen storage material due to its high theoretical hydrogen storage capacity. However, it suffers from high thermal stability, sluggish dehydrogenation/hydrogenation kinetics and poor reversibility. Introduction of catalysts is an effective way to improve the hydrogen storage properties of LiBH₄. In the present study, chromocene and nickelocene are used as catalytic additives to LiBH₄ by a simple ball-milling. Nickelocene is mostly decomposed, forming CNTs (carbon nanotubes) cross-linking the LiBH₄ particles, while chromocene maintains stable during the ball-milling process. But they are fully decomposed to Cr and Ni nanoparticles after the initial dehydrogenation and further transferred to CrB₂ and Ni₂B nanoparticles after initial hydrogenation. The in situ formed CrB₂ and Ni₂B show superfine nanoparticles and are uniformly dispersed in the matrix, acting as highly active catalysts. The dehydrogenation temperature of the combined system is evidently reduced, and the hydrogen storage kinetics and reversibility are significantly improved. The highly thermal conductive CNTs are considered helpful in heat transfer during dehydrogenation and hydrogenation. The method for the introduction of the catalysts is facile and low cost. The present work provides a new insight into the design of novel catalysts for LiBH₄.

LiBH ₄由于其较高的理论储氢容量，作为储氢材料具有巨大的潜力。然而，它的热稳定性高、脱氢/加氢动力学缓慢且可逆性差。_{引入催化剂是提高LiBH 4}储氢性能的有效途径。在本研究中，通过简单的球磨将二茂铬和二茂镍用作LiBH _{4的催化添加剂。茂镍大部分分解，形成与LiBH 4}颗粒交联的CNT（碳纳米管），而茂铬在球磨过程中保持稳定。但在初始脱氢后它们完全分解为 Cr 和 Ni 纳米颗粒，并进一步转移为 CrB_{初始氢化后的2}和Ni ₂ B纳米颗粒。原位形成的CrB ₂和Ni ₂ B呈现出超细纳米颗粒，均匀分散在基体中，充当高活性催化剂。组合体系的脱氢温度明显降低，储氢动力学和可逆性显着提高。高导热碳纳米管被认为有助于脱氢和氢化过程中的传热。该催化剂引入方法简便、成本低。_{目前的工作为LiBH 4}新型催化剂的设计提供了新的见解。