Be, Li and Sc functionalized borane B6H6 and carborane C2B4H6 for hydrogen storage: A comparison using first principles approach and molecular dynamics simulations
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DOI: 10.1002/er.6342
Abstract: Hydrogen adsorption properties of functionalized closo‐dicarborane (C2B4H6) and boranes (B6H6) are studied and compared using quantum chemical methods. More number of H2 molecules gets adsorbed on metal functionalized carboranes than metal functionalized boranes considered in… read more here.
Keywords: b6h4be2 b6h4li2; b6h4li2 b6h4sc2; hydrogen storage; metal ... See more keywords