“Defect engineering” to improve rate performance of phase-changing battery electrodes

Great to see our work which reveals defect-enhanced Li surface reaction kinetics in the battery materials is published on npj Computational Materials. This is one of the representative studies utilizing the “Defect engineering” strategy for enhancing the performance of battery intercalation compounds. The existence of anti-site defects in LiFePO4 would significantly block Li diffusion along [010] while slightly increase its diffusivity along [100] and [001]. For Li intercalation in the surface-reaction-limited kinetic regime, such decreased diffusion anisotropy obviously improves phase transformation kinetics by increasing active surface area. Moreover, a more uniform reaction flux prevents the formation of current hotspots under galvanostatic (dis)charging conditions. We believe tailoring distribution and concentration of defects is a promising approach for improving the rate performance of phase-changing battery compounds.

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