eV concerning the chlorine chemical potential of Cl2 at standard conditions 𝜇 𝐶𝑙 0 , 𝑒 is the elemental charge and 𝜑 is the electrode potential in 𝑉 𝑣𝑠 𝐿𝑖/𝐿𝑖 + . The barriers for Cl -diffusion were investigated via the nudged elastic band (NEB) method. We investigated three different diffusion paths in the low vacancy limit where each path was modelled with three distinct intermediate images. Optimized NEB algorithms were used to optimize the ion positions until the forces on every ion were lower than 0.05 eV/Å. The climbing image method was used to ensure that the transition state was found.