Fig. 7: DFT calculation results.
From: Electrochemical CO2 reduction to ethylene by ultrathin CuO nanoplate arrays
a A reaction energy diagram for the CO2RR to *COH (the intermediate of CH4 formation) and to *OCC through different dimerization pathways on the Cu(110) slab, Cu/Cu2O interface and Cu2O(110) slab. b A reaction energy diagram for the CO2RR to C2H4 on the Cu(110) slab, Cu/Cu2O interface and Cu2O(110) slab. c The free energy of the rate-determined step for the CO2RR to C2H4 pathway and the adsorption energy of the *OCCOH intermediate on the Cu(110) slab, Cu/Cu2O interface and Cu2O(110) slab. d Optimized structures for the reaction intermediates of the C2H4 formation pathway on the Cu/Cu2O interface.
