A Madelung-Buckingham Model for the Variation of the Cubic Lattice Constant of LixMn2O4 during the charge and discharge of the Lithium-ion Battery

TL;DR

This paper models how the cubic lattice constant of LixMn2O4 changes during battery charge/discharge cycles using a Madelung-Buckingham approach, linking structural variations to battery performance.

Contribution

It introduces a Madelung-Buckingham model to predict lattice constant variations in LixMn2O4 during operation, validated against experimental data.

Findings

Model accurately predicts lattice constant changes

Structural variations correlate with battery efficiency

Provides insights for optimizing cathode materials

Abstract

LixMn2O4 is an important cathode material for the Li ion battery. During battery charging, the stoichiometry x varies continuously from 1 to zero and on discharging it varies from zero to one. The cubic lattice constant a of LixMn2O4 depends on the value of x and the variation of a with x has important consequences for the battery performance. In this paper, we use a Madelung-Buckingham model to study this variation and compare the results with experimental data on LixMn2O4