Fig. 5: DFT calculations and in situ Raman measurements.
From: σ-π dative bond stabilizing copper active site drives CO2 electrocatalysis to hydrocarbon
a Free energy diagram of CO2RR over PhCu MOPs. b Adsorption energy of the 1st and 2nd CO molecule on Cu and OMe-PhCu catalysts. c Comparison of free energy of C1 and C2 pathway. In situ Raman spectra of CO2RR over (d) OMe-PhCu and (e) F-PhCu under different cathodic potentials. Source data are provided as a Source Data file.
