Improvement of alkali metal ion batteries <i>via</i> interlayer engineering of anodes: from graphite to graphene
Jiachen Ma, Chen Yang, Xinjie Ma, Shiqi Liu, Jie Yang, Linqiang Xu, Jingsong Gao, Ruge Quhe, Xiaotian Sun, Jinbo Yang, Feng Pan, Xiaoyu Yang, Jing Lü
Abstract
at the interlayer spacing of 20.0 Å). As the interlayer spacing increases, the electrostatic potential of graphite becomes smoother, and the ability to buffer the electrostatic potential fluctuation becomes poorer in M ions. These two effects jointly lead to minima of the diffusion barrier of M ions on graphite (0.01-0.05 eV), instead of strictly monotonous declines with the increasing interlayer spacing. To perform the interlayer engineering of anode candidates more efficiently, a set of high-throughput programs has been developed and can be easily applied to other systems. Our research has guiding significance for achieving the optimal effect in interlayer engineering experimentally.