The local structure of water molecules at the interface is influenced either by the solubility of redox-active molecules or by the hydrophobic nature of graphene. There is no doubt that the charge states of the used materials play an important role in determining these characteristics. For instance, the positively-charged side of the water molecule attacks the negatively-charged centers. In this manner, ETs cause solvent reorientation. The closer the water molecules are to the redox centers, the more strongly they reorient. In addition, those waters farther away from the redox centers are less affected. In order to capture these effects, regarding the low number of explicit water in our simulation, we additionally applied the self-consistent continuum solvation (SCCS) model via the dielectric constant ε imp = 80.