Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMn_yFe_1-yPO₄

Phase separation during the lithiation of redox-active materials is a critical factor affecting battery performance, including energy density, charging rates, and cycle life. Accurate physical descriptions of these materials are necessary for understanding underlying lithiation mechanisms, performance limitations, and optimizing energy...

Explaining key properties of lithiation in TiO2-anatase Li-ion battery electrodes using phase-field modeling

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. Phase-field modeling has recently been shown to have this ability, providing new opportunities to gain understanding of these complex systems. In this paper, a novel electrochemical...