The importance of lithium-ion batteries in renewable energy storage applications cannot be sufficiently explained and can be used in hybrid vehicles, electronic devices, wearable electronics, and so on because of their high energy and power density. Here, we report the significance of understanding how the efficiency and performance are affected by battery internal chemistry. To study the degree of influence on battery efficiency, a computer-aided multiphysics simulation is implemented in comsol by using the mathematical model of the battery. The properties included in the study are initial salt concentration in the electrodes, length of the electrodes, the volumetric ratio of the electrode materials, the volumetric ratio of the electrolyte, initial concentration of lithium ions, and the lithium-ion diffusivity. The simulation results have indicated that the increment in the concentration of the positive electrode material has improved the battery performance by 15%, and the increase in the initial salt concentration produced a 14% increase in the power-energy performance.