Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation

摘要

Kinetic stability is a key aspect of Li-insertion compounds used in rechargeable Li batteries.To obtain high capacity,the Li ions need to be cycled over a wide range of concentrations within the host structure of the insertion compound.This almost invariably brings the host structure outside its range of thermodynamic stability at some stage of the electrochemical cycle.Maintaining a desirable host structure over repeated electrochemical cycles often hinges upon the host structures resistance against transforming into more stable phases when it becomes thermodynamically metastable.The ability to resist phase transformation can have an important impact on the overall performance of a Li-insertion compound used as an electrode material in a Li rechargeable battery.