Fig. 5: Theoretical understanding of the mechanism. | Nature Communications

Fig. 5: Theoretical understanding of the mechanism.

From: High yield electrosynthesis of oxygenates from CO using a relay Cu-Ag co-catalyst system

Fig. 5

a Two types of *COH adsorption configurations on the substrate: *HCO and *HOC (red ball, black ball, pink ball and light black ball mean O, C, O and Ag atoms). b Changes in the adsorption energy of *HCO from Ag (100) to the boundary region, then to Cu (100) (inset: top-view snapshots of the dynamic transfer process of *HCO on Ag|Cu(100)). c The trajectory profile of *HCO from Ag to Cu and the corresponding energy change. d Snapshots of the dynamic process of *HCO on Ag|Cu(100) (red ball, black ball, pink ball, light black ball and yellow ball mean O, C, O, Ag and Cu atoms).

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