Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
confident assertion that particles undergo simple phase transition between 8a and 16c sites during lithiation or delithiation, yet this is apparently what happens in reality anyway [2]. The actually measured open-circuit potential of Li_{4/3–7/3}Ti_{5/3}O_4 also has a single big plateau as well as