While the preliminary step of computational screening using DFT calculations offers numerous advantages, these calculations are performed at 0 K, thus overlooking the entropic contributions to the chemical reactions. Considering entropic effects (vibrational and configurational) could change the predicted spontaneity of specific chemical reactions, partic-ularly under moderate-to high-temperature conditions. Notably, DFT calculations predict the behavior of bilayer separators at thermodynamic equilibrium. However, the stability of the interface relies significantly on the kinetics of decomposition reactions, an aspect not considered by the theoretical treatments applied here.