At room temperature, the interaction between the solvent and the ZnO surface results in the formation of a hydroxide layer due to dissociation of water and acetic acid molecules on surface ions. Above the hydroxide layer, a tightly bound solvent layer is formed due to the interactions between the solvent molecules and the hydroxide layer.According to MD simulations conducted in this study, the difference between CSP and HS results in a distinctive chemical activity in the system.