no code implementations • 16 Apr 2021 • Gregory H. Teichert, Sambit Das, Muratahan Aykol, Chirranjeevi Gopal, Vikram Gavini, Krishna Garikipati
Li$_xTM$O$_2$ (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability as a function of Li content at the atomistic scale.