Role of electronic structure in the susceptibility of metastable transition-metal oxide structures to transformation

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. This review focuses on the role of electronic structure in determining the site preference and mobility of 3D transition-metal ions in an oxide and how these factors in turn affect the resistance of metastable 3D transition-metal oxides against transformation. For demonstration purposes, the transformation of the layered α-NaFeO//2 structure to spinel is considered to illustrate the influence of electronic structure on the transformation kinetics of 3D transition-metal oxides.