Contrast and Synergy between Electrocatalysis and Heterogeneous Catalysis

Figure 4

DFT-calculated reaction coordinate for the oxidation of CO via adsorbed OH* over Au. The reaction proceeds via: (a) the coadsorption of CO* and OH*, (b) the nucleophilic attack of OH* on CO* to form the HO*–*CO surface intermediate, (c) cleavage of O–H bond in the transition state, and (d) formation of CO₂ and H₃O⁺ products. The active CO* and OH* surface species are highlighted in green as they proceed through the reaction.

(a)

(b)

(c)

(d)