Fig. 4: DFT calculations.
From: High-efficiency C3 electrosynthesis on a lattice-strain-stabilized nitrogen-doped Cu surface
a–c Adsorption configurations and adsorption energies (ΔGads) of *CO at N-Cu/Cu2O (a), Cu(211) (b), and Cu(111) (c) surfaces. d and e Gibbs free energy evolution for *COCOH and *COCOHCO intermediates formation on the N-Cu/Cu2O (d) and Cu(211) (e) at 0 V (versus SHE) through *COH (orange) and *CO–*CO (purple) pathways. Orange, gray, red, and purple spheres in a–c represent Cu, C, O, and N atoms, respectively. Source data are provided as a Source Data file.
