Water molecules adsorb on electrode surfaces when the solid and the liquid phases come in contact with each other. It has been shown that the adsorbed water molecules play an important role in many sustainable chemical technologies such as (photo)electrocatalytic water splitting, water desalination, water harvesting. The water adsorption energy E ads is an key physical quantity that can reflect the interaction between electrolyte and electrode materials. Therefore, unraveling the relationship between E ads and the surface properties of electrode materials is of paramount importance.