Li Storage Performance for the Composite Structure Of Graphene and Boron Fullerene

We study the stability and performance of Li absorption on the composite structure (B₈₀C₇₂) of boron fullerene and graphene by first-principles calculations. Our results show that the Li storage capacity of the composite structure is estimated to be at least Li₅₄B₈₀C₇₂, which is steady with improved dispersibility and electronic conductivity. The composite structure could have the potential application as the anode material of Li-ion batteries with high Li storage capacity and great mechanical property.