Fig. 4 | Nature Communications

Fig. 4

From: Tuning the activity and selectivity of electroreduction of CO2 to synthesis gas using bimetallic catalysts

Fig. 4

Density functional theory results. a–c DFT optimized configurations of a *H, b *HOCO, and c *CO adsorption on (PdM)H. Pd (gray), M (blue), O (red), and H (pink). *H is shown within dotted red circle in (a). d, e The changes in free energy (ΔG) for the rate limiting steps in e HER and e CO2RR. f A plot of the free energy difference of *H and *HOCO adsorptions (ΔG (*H)−ΔG (*HOCO)) versus JECSA(CO) at −1.0 VRHE

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