Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
phase transitions from Stage 1 (LiC_6) to Stage 2 (LiC_12) of graphite which has a 2:1 proportion between stage populations as well LTO with its 8a and 16c sites. Discussion The proposed energetic model with three parameters: (with intercalation energies ε_8a and ε_16c into 8a and 16c lattice site