Dependence of property, cathode characteristics, thermodynamic stability, and average and local structures on heat-treatment condition for LiNi0.5Mn0.5O2 as a cathode active material for Li-ion battery

LiNi0.5Mn0.5O2 was heat-treated under high oxygen-pressure and Ar-reducing conditions, and then the cathode properties, thermodynamic stability and average and local structures were investigated. From X-ray diffraction and ICP measurements, it was found that the pristine LiNi0.5Mn0.5O2 had a single phase of the layered rock-salt structure although the Ni content was slightly rich compared with the nominal one. These characteristics were kept even after the heat-treatments. Charge–discharge cycle tests clarified that the cycle performance of LiNi0.5Mn0.5O2 was improved by both the reducing and oxidizing treatments. From neutron diffraction and X-ray absorption fine structure measurements, the local distortion around the transition metal, especially Ni, was supposed to be one of the important factors to determine the cathode properties. It was also found that the sample with higher thermodynamic stability exhibited better capacity retention in the discharge–charge cycle tests.

► LiNi0.5Mn0.5O2 was heat-treated under high PO2PO2 and Ar-reducing conditions. ► Cathode properties of LiNi0.5Mn0.5O2 were improved by the heat-treatments. ► Structure analyses indicated that the treatments affected a distortion around Ni. ► The sample with a better capacity retention showed higher thermodynamic stability.