[PS-13-5] First-Principles Calculations for Diffusion Mechanism of Li Atom from Li(EC)₄ to Interlayer of Graphite with Hydrogen/Carbonylic Edge Terminations

^○T. Kawai^1,2, S. Okada², M. Otani³ (1.NEC Corp., 2.Univ. of Tsukuba, 3.AIST(Japan))

https://doi.org/10.7567/SSDM.2015.PS-13-5