In the original method, liquid-solid interfaces containing the OH adsorbate (OH*) and surface site (*) were modeled using ice-like bilayers and single crystal surfaces optimized by FP calculations. Water was represented as an isolated molecule in vapor in equilibrium with liquid water. The free energies of the surface site and OH adsorbate were computed using harmonic oscillator models, and the free energies of hydrogen (H 2 ) and water (H 2 O) were calculated using ideal gas models at the standard state and empirical saturated vapor pressure at 298 K, respectively. However, as described in the introduction, the effects of solvation structure modified by melamine cannot be evaluated using the ice-like model optimized at 0 K. To solve this problem, we computed the free energy change using a rigorous TI scheme with finite-temperature MD simulations.