Capacity of layered cathode materials for lithium-ion batteries ¯¯ a theoretical study and experimental evaluation

The theoretical capacity and the vacancy concentration of metal-ion-doped layered compounds such as LiCoO2, LiNiO2, and LiMnO2, acting as cathodes in high-voltage lithium-ion batteries are calculated. The capacity shows strong dependence on valency of the doped metal ion and vacancy concentration. Experimental verification carried out to check the validity of the proposed equation for aluminium substitution into the potential layered materials shows good agreement between the experimental and theoretical capacity values. The vacancy concentration values of doped layered compounds have been found to be high when compared with that of the doped spinel compounds.