Thermodynamic Modeling of the Binary Indium-Lithium System, A Promising Li-Ion Battery Material

Abstract

The binary In - Li system is a promising Li-ion battery anode material as well as a part of the important ternary Ge - In -Li system. The thermodynamic descriptions of metallic systems are widely used to retrieve information necessary for alloy applications. In this work, a thermodynamic model of a binary indium - lithium system prepared by the Calphad approach is proposed. The liquid phase was described by an associate model, and the solid phases determined by the ab-initio calculation were included in the thermodynamic modeling. The obtained set of self-consistent thermodynamic parameters well reproduces the available experimental data and enables further calculations of multi-component systems. A good agreement between the calculations and the available experimental data was found. The proposed model can be used for further descriptions of ternary systems.