Lithium borohydride, LiBH 4, possesses high hydrogen capacity, but cannot be used for hydrogen storage owing to the problematic H-exchange kinetics and thermodynamics. In the present study, we employed the Li + −Ca 2+ combination strategy to improve the de/rehydrogenation properties of LiBH 4 . Our study found that mechanically milling 1:1 LiBH 4 /Ca(BH 4 ) 2 mixture formed a dual-cation borohydride, Li 0.9 Ca(BH 4 ) 2.9, which then transformed to stoichiometric LiCa(BH 4 ) 3 in the heating process. The formation and decomposition behaviors of LiCa(BH 4 ) 3 were studied using X-ray diffraction and thermogravimetry/differential scanning calorimetry/mass spectroscopy techniques. It was found that LiCa(BH 4 ) 3 differs significantly from the component phases in terms of physical properties, decomposition behaviors, and mechanistic pathway. In particular, LiCa(BH 4 ) 3 exhibits improved de/rehydrogenation properties relative to the component phases. These experimental findings exemplified the effectiveness of manipulation of dual-cation combination in tuning the de/rehydrogenation properties of the ionic light-metal borohydrides.
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Fang et al. (2010) studied this question.
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