where ∆𝐸 𝑤𝑎𝑡𝑒𝑟 , ∆𝐻 𝑣𝑎𝑝 = 0.456 𝑒𝑉 , and 𝑁 𝑤𝑎𝑡𝑒𝑟 represents the water binding energy under implicit solvation, the enthalpy of vaporization of water, and the number of water molecules that are displaced upon adsorption, respectively. Note that the absolute adsorption free energy can thus be obtained by adding ∆ 𝑠𝑜𝑙 𝑖𝑚𝑝𝑙 ∆𝐺 𝑎𝑑𝑠 to the solute adsorption energy calculated at the continuum level,