structure demonstrates the highest tendency to undergo adsorption, followed by the Na2OTF and then the NaOTF structures (see Figs. and). This suggests that larger aggregates, comprising multiple anions or cations, may have a greater propensity for adsorption onto solid surfaces compared to smaller aggregates or individual ions. This increased tendency could primarily stem from the increased number of atoms interacting with the surface, particularly when multiple anions are involved in the aggregate and come into contact with the surface.