Abstract
Due to the high hydrogen capacity of LiBH4, various strategies have been investigated to improve the hydrogen release properties of LiBH4. Theoretical calculations suggest that doping LiBH4 with F-/CI- anions may generate lattice substitutions (such as the formation of LiBH3F or LiBH2F2), which will lower the hydrogen release temperature from LiBH4. The effect of addition of F-/Cl-containing dopants (viz. LiBF4, NH4F, LiA1Cl4 and NH4Cl) on the hydrogen release from 2LiBH4:1MgH2 was investigated and LiBF4 was found to be the most effective among the dopants studied. Furthermore, the combined effect of LiBF4 and the catalyst precursor NbF5 was studied on the hydrogen release from 2LiBH4:1MgH2. It was found that the hydrogen release temperature for the LiBH4 and MgH2 components were substantially reduced by 55 degrees C and 112 degrees C respectively by the combined doping and catalytic effect from LiBF4 and NbF5. This sample was partially rehydrogenated under 400 degrees C and 100 bar, and upon cycling the hydrogen release temperature was lowered further for the LiBH4 component but increased for the MgH2 component.
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