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 （B80 C72） 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.