Fig. 1.

DFT calculations of Cu adparticle effects on CO-RR. a Demonstration of various low-coordinated Cu sites (CN: coordination number) by adding different number of Cu adatoms (ADs) on various Cu slabs. b The adsorption energy of CO. c The reaction energies of *CO dimerization. d, e CO–C₂ (i.e., *OCCOH, *CCH₂) on various modified Cu surfaces (i.e., (111), (100), (211)) in the presence and absence of Cu adparticles