Subsequently, in the resulting optimal structure, we adjust the positions of the water molecules situated between the ions and the surface atoms to enable direct ion-surface contact. Using these modified configurations as input, we then repeat our DFT calculations to approximate the energy of the partially desolvated species adsorbed on the surface. Finally, we compare the energies of the adsorption complexes with and without partial loss of ion solvation shells ∆𝐸 ",% = 𝐸 %$01!#," -𝐸 ",%$01!#,"