The effect of mixed Mn valence on Li migration in LiMn2O4 was investigated. The molecular dynamics simulations were used for the study of the structure and properties of lithium manganese spinels. It was observed that self diffusion of Li ions occurred only for a discrete mixed Mn valence model. The periodical switching of the Mn valence states, reflecting an electron hopping model, was found to facilitate Li ion self-diffusion.

The Effect of Mixed Mn Valences on Li Migration in LiMn2O4 Spinel: a Molecular Dynamics Study. Tateishi, K., Du Boulay, D., Ishizawa, N.: Applied Physics Letters, 2004, 84[4], 529-31