Development and application of phase diagrams for Li-ion batteries using CALPHAD approach

Publication date: Available online 10 July 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Na Li, Dajian Li, Weibin Zhang, Keke Chang, Feng Dang, Yong Du, Hans J. SeifertAbstractPhase diagrams provide fundamental knowledge about design map of new electrode materials for Li-ion batteries. The CALPHAD (CALculation of PHAse Diagrams) approach is widely applied to the development of phase diagrams and property diagrams in a thermodynamic language. Within the CALPHAD framework, the theoretical modeling can be performed to predict phase equilibria, thermodynamics, electrochemical and physical properties of electrodes. This review provides the successful application of high quality calculated phase diagrams and thermodynamic property diagrams in CALPHAD investigation to both cathodes and anodes of Li-ion batteries, including Li–Co–O, Li–Ni–O, Li–Co–Ni–O, Li–Mn–O, Li–Cu–O, Li–Si, Li–Sb and Li–Sn systems with. The intensive CALPHAD-type research may also predict electrochemical properties, cell performance of the Li-ion batteries to achieve more efficient development of electrode materials.
Source: Progress in Natural Science: Materials International - Category: Materials Science Source Type: research