Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
stoichiometry). This explanation is robust because the energetic model’s predictions seem to be accurate within 5%, whereas the difference between Δε = ε_16c — ε_8a and J is much larger: 50%, and the system “should” have two distinct phases as long as J is larger than Δε and the temperature of the