A novel aided-cation strategy to advance the dehydrogenation of calcium borohydride monoammoniate

摘要: The crystal structure of a promising hydrogen storage material, calcium borohydride monoammoniate (Ca(BH4)2·NH3), is reported. Structural analysis revealed that this compound crystallizes in an orthorhombic (space group Pna21) with unit-cell parameters = 8.4270 A, b 12.0103 c 5.6922 A and V 576.1121 A3, which the Ca atom centrally resides slightly distorted octahedral environment furnished by five B atoms from BH4 units one N NH3 unit. As Ca(BH4)2·NH3 tends to release ammonia rather than when heated argon, novel aided-cation strategy via combining LiBH4 was employed advance its dehydrogenation. It shows interaction two potential substances upon heating, based on promoted recombination reaction BH NH groups, enables significant mutual dehydrogenation improvement beyond them alone, resulting more 12 wt% high-pure H2 (>99%) released below 250 °C. synergetic effect associating dihydrogen mutually aided-metal cations optimizing kind composites may serve as alternative for developing expanding future B–N–H systems superior tuneable properties.