Calculations on electrode materials E=0.50eV 1.01 E=0.88eV Diffusion and its barriers Site 2 Site 3 △E=0.02eV 0.0 Site 1 △E=0.49eV Higher中/ Nominal oxidation potential Lower u “ 中-5V/: Overpotential 4=-5eV Cathode Low Hu Oxidation potential Interphase Structure and Electrochemical stability of Intrinsic Extended Electrochemica Electrochemical Window Electrode/electrolyte interfaces Window Solid Inter electrolyte Reduction potential Anode 中=0V/ High u phase =0eV Diffusion and its barriers Calculations on electrode materials Structure and Electrochemical stability of Electrode/electrolyte interfaces