A computer modelling study of ionic conductivity in some lithium silicates and aluminosilicates

Lithium silicates and aluminosilicates are known experimentally to be good Li+ ion conductors and strong candidates for use as solid electrolytes in high energy density battery systems. An atomistic computer modelling study has been employed to determine the activation energies for lithium ion migration in some of these compounds. A comparison between experimental and calculated energies is made and the relationship between structure and ionic conductivity is presented.