摘要
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.
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.
基金
Supported by the National Natural Science Foundation of China under Grant No 51302097
the Scientific Research Foundation of the Returned Overseas Chinese Scholars of the State Education Ministry
作者简介
Corresponding author. Email： miaoling@mail.hust.edu.cn
