Dependence of Thermodynamic Stability, Crystal and Electronic Structures and Battery Characteristics for a Cathode Active Material for Li Secondary Battery

Abstract

We investigated the dependence of the thermodynamic stability, crystal structure, electronic structure and electrode characteristics on the heat treatment of Li_1.00Mn_0.5Ni_0.5O₂ as a cathode active material for Li secondary battery. Moreover, we investigated the relationship between the crystal structure, electronic structure, thermodynamic stability and cycle performance of Li_xMn_1/3Co_1/3Ni_1/3O₂, which obtained different synthetic process, and chemical delithiated samples. From these results, the correlation was found between the crystal and electronic structures, the thermodynamic stability and cycle performance. It was suggested that the structure and thermodynamic stability should provide an effective cycle performance.