Advanced characterization and calculation methods for rechargeable battery materials in multiple scales

Li Xin-Yan^{1, 2}, Weng Su-Ting^{1, 2}, Gu Lin^{1, 2, 3, †}

Calculated reaction enthalpy and Gibbs free energy for O₂ release from different delithiation states Li_yMnO₃ and Li_yMn_0.75Mo_0.25O₃, where y = 2, 1.75, 1.5, 1.25, and 1, for Li₂MnO₃ and Li₂Mn_0.75Mo_0.25O₃, respectively.^[60]