First-Principles Simulations for the Surface Evolution and Mn Dissolution in the Fully Delithiated Spinel LiMn2O4

Xiaorui Sun1,2, Ruijuan Xiao1,2, Xiqian Yu1,2

  • 1Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.

Summary

Investigating manganese dissolution in lithium-ion batteries reveals that surface oxygen loss and electrolyte decomposition drive cathode material degradation, impacting battery life and performance.

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