First principles calculations of stability and lithium intercalation potentials of ZnCo$_{2}$O$_{4}$

Among the metal oxides, which are the most widely investigated alternative anodes for use in lithium ion batteries (LIBs), binary and ternary tin oxides have received special attention due to their high capacity values. ZnCo$_{2}$O$_{4}$ is a promising candidate as the anode material for LIB, and one can expect a total capacity corresponding to 7.0 - 8.33 mol of recyclable Li per mole of ZnCo$_{2}$O$_{4}$. Here we studied the structural stability, electronic properties, diffusion barrier and lithium intercalation potentials of ZnCo$_{2}$O$_{4}$ through density functional calculations. The calculated structural and energetic parameters are comparable with experiments. Our DFT studies provide insights in understanding the mechanism of lithium ion displacement reactions in this ternary metal oxide.