Quasi-dynamic study of electrochemical properties of O3-high-Ni ternary single-crystal cathode materials with mirror symmetry: a first-principles study

Abstract

A total of 16 O3-type high-Ni ternary crystal structures with mirror symmetry were constructed based on the relative locations of Ni, Co, and Mn in order to design high operating voltage and high-capacity cathode materials for lithium-ion batteries.