Fig. 4: DFT calculated reaction procedure of EOR on Pd–Pd sites and Pd–Zn dual sites.
From: Construction of Pd-Zn dual sites to enhance the performance for ethanol electro-oxidation reaction
a DFT calculated models of Pd–Pd sites adsorbed with the reactive species from different EOR reaction states. b DFT calculated models of Pd–Zn dual sites adsorbed with the reactive species from different EOR reaction states. c DFT calculated free energy profiles of EOR over Pd–Pd sites (pH = 14, U = 0.82 V with respect to the RHE). d DFT calculated free energy profiles of EOR over Pd–Zn dual sites (pH = 14, U = 0.82 V with respect to the RHE).
