Fundamental Physics of Solid-Liquid Interface Reactions for Graphite intercalation of Lithium

The atomic structure of graphite edges for Li ion battery anode is considered to affect the capacity and charge/discharge rate. In this study, we found that oxidized graphite edge is negatively charged and accumulate the positively charged solvated-lithium atom near the edge of graphite, which enhance the rapid charge/discharge. Although the negatively charged edges may trap a Li ion at the edge, the trapped structure do not affect the diffusion of other Li atoms. Furthermore, even small vacancy defects, which extract a 6 membered ring from graphite, can allow the Li ion to go through. The diffusion of Li from one layer to adjacent layers would enhance the diffusion of Li ion, and then, charge/discharge rate.