Fig. 4: Simulation of Li+ transfer in SEI.
From: Tackling realistic Li+ flux for high-energy lithium metal batteries
Binding energy landscape for Li+ diffusion along a LiF and b LiF1-xClx grain boundaries. c Schematic illustration of Li+ diffusion path. d Variation of NEB energies with path 1 and path 2 along LiF or LiF1-xClx grain boundaries. e Mean square displacement (MSD) of Li+ ions in LiF and LiF1-xClx. f Li+ diffusion coefficient as a function of temperature. The inserted Einstein’s equation expresses the calculation of D from MD simulations, \( {(X(t)-X(t_{0}))}^2 \) is MSD of Li+ ions.
