Figure 5

(a) Potential energy profile of the mechanism for the three proposed pathways for CO formation on sample 3-CuZn: direct dissociation, H-assisted via COOH*, and via HCOO*. (b) The projected density of states (PDOS) of the Cu atom in the four samples on the (111) plane and the d-band center represented by the black arrow while the Fermi level is the dotted line, and (c) the binding energy of the different adsorbates during CO2RR on the Ag–CuZn (111) surface, the red dot is the binding energy of CO.