where 𝐸 #$# is the total energy of the adsorption complex, 𝐸 %&'( is the energy of the bare surface modeled in the same simulation cell as for the entire adsorption complex, and 𝐸 )$*% is the energy of the respective electrolyte component simulated in the gas phase within a large simulation box of 32 × 32 × 32 Å + .