To evaluate the effect of cations towards the reaction intermediates of CO 2 reduction to CO at the DFT level, we solvated alkali cations (Li + , K + , Cs + ) with three water molecules and placed them in the vicinity of the adsorbates on Ag(111). For K + , we also evaluated the Ag(110) and Ag(100) facets, see Figure . The coordination number of cations were kept constant to analyze the intrinsic differences in stabilization that the cation provides.