As shown in Equations (S8)-(S9), the adhesion work can also be computed directly from the simulated free energies. It should be noted that the accuracy of W ad depends not only on the solid-liquid and liquid-vacuum surface tensions but also on the solid-vacuum surface tensions. The accuracy of γ sv depends on the computational method used. For example, GGA functionals are known to underestimate γ sv , which may cause an overestimation of the hydrophilicity. We also separately considered the contributions of (internal) energy (E(T )) and entropy (S(T )). The entropy contribution to the surface tension is defined as