Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
lithium-titanate-oxide: Li_{1–2}Ti_2O_4 and Li_{4/3–7/3}Ti_{5/3}O_4. Compared to the first flavour, in the second flavour one-sixth of Titanium atoms in the lattice are replaced with Lithium atoms. LiTi_2O_4 and Li_{4/3}Ti_{5/3}O_4 correspond to 0% stoichiometry, i. e. there is always some Lithium