While the methodology described above provides valuable insights into the relative stability of different adsorption configurations by approximating adsorption or decomposition energies, it is important to acknowledge the inherent limitations of the DFT model used in our simulations (the model is outlined in section 3). Firstly, we derive only the total energies, neglecting temperature-dependent entropic contributions to the energy calculations. Secondly, the high computational cost of DFT calculations restricts the number of atoms that can be modeled and thus the complexity of the configurations that can be explored. Thirdly, this study does not explore any dynamic processes. To address these limitations, future studies could utilize MD simulations to provide further insights into the formation process and structure of the SEI.