Ferdowsi University of Mashhad, Mashhad, Iran
khoraszn-razavi 9898113111
Iran
Ferdowsi University of Mashhad (FUM)
Chlormethine, Superalkali X3O, B12N12, Adsorption, DFT
Li-ion batteries, CTF0, DFT calculation, Diffusion energy barrier, Theoretical specific capacity