Compared to the AIMD studies, the RISM (TIP5P) model was able to capture subtle effects due to concentration and explicit adsorbates. With the evidence provided by the charge density plots, we deduce that the inclusion of lone pairs lead to significant difference in the description of the electrochemical interface and are responsible for the accurate description of both solvation energies and workfunctions by the RISM (TIP5P) model, aligning well with previous studies which highlighted the important effect of lone-pairs on Pt(111). 110