Voltage prediction from Coulomb potential created by atoms of spinel LiMn2O4 cathode active material for Li ion cells

We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material LixMn2O4 was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure LixMn2O4 (Fd3m) (Mn---O: 2 Å, Li---O: 1.732 Å, O---O: 2.828 Å). From this calculation, we found that LixMn2O4 has a multiphase co-existence for 0