“…The Gibbs free energy change (Δ G ) is calculated depending on the computational hydrogen electrode (CHE) model proposed by Nørskov et al − Equation has been widely used in electrocatalytic oxidation reactions, such as the OER, methanol oxidation reaction (MOR), and FOR. In the FOR study of Qin et al, the FOR study of Pan et al, the MOR study of Wang et al, and the MOR study of Qi et al, this equation was used to calculate the free energy of the reaction. − Hence, eq is suitable for this work. normalΔ G = normalΔ E + normalΔ E ZPE − T normalΔ S where Δ E , Δ E ZPE , and Δ S are the energy difference, zero-point energy difference, and vibrational entropy difference between the final and initial surface species of each adsorption step, respectively. The ZPE and S values for *HCHO and *CHO are listed in Tables S1 and S2.…”