Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
Li_{1–2}Ti_2O_4. Quantitatively, the proposed energetic model predicts the position of LTO’s open-circuit voltage plateau within about 3% (e. g., the prediction might be 1.45V whereas the real plateau might be 1.4V, depending on the specific LTO anode: particle size, the preparation process,