Km. Kennedy et al., A COMPUTER MODELING STUDY OF IONIC-CONDUCTIVITY IN SOME LITHIUM SILICATES AND ALUMINOSILICATES, Anales de quimica, 94(1), 1998, pp. 27-30
Lithium silicates and aluminosilicates are known experimentally to be
good Li+ ion conductors and strong candidates for use as solid electro
lytes in high energy density battery systems. An atomistic computer mo
delling study has been employed to determine the activation energies f
or lithium ion migration in some of these compounds. A comparison betw
een experimental and calculated energies is made and the relationship
between structure and ionic conductivity is presented.