Li${}_x$CoO${}_2$ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories

Gregory H. Teichert, Sambit Das, Muratahan Aykol +3

Li${}_{x}TM$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…