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 l ayered compounds such as LiCoO2, LiNiO2, and LiMnO2, acting as cathodes in high-voltage lithium-ion batteries are calculated. The capacity shows stron g dependence on valency of the doped metal ion and vacancy concentration. E xperimental verification carried out to check the validity of the proposed equation for aluminium substitution into the potential layered materials sh ows good agreement between the experimental and theoretical capacity values . The vacancy concentration values of doped layered compounds have been fou nd to be high when compared with that of the doped spinel compounds. (C) 20 00 Elsevier Science S.A. All rights reserved.