Dehydriding and rehydriding reactions of LiBH₄

Structural differences in LiBH₄ before and after the melting reaction at approximately 550 K were investigated to clarify the experimental method for the confirmation of reversible dehydriding and rehydriding reactions. Since the long-range order of LiBH₄ begins to disappear after the melting reaction was achieved, investigation of the atomistic vibrations of the [BH₄]-anion in LiBH₄ was found to be effective for the confirmation of the reversibility. In the present study, LiBH₄ was successively dehydrided (decomposed) into LiH and B under 1 MPa of hydrogen at 873 K, and then rehydrided (recombined) into LiBH₄ under 35 MPa of hydrogen at the same temperature (873 K). The temperatures at the beginning and ending of the dehydriding reaction are lowered, by approximately 30 K, for LiBH₄ substituted (or mixed) with Mg (atomic ratio of Li:Mg=9:1) as compared to those for LiBH₄ alone. This is similar to the tendency exhibited by LiNH₂