Catalytic reduction of CO2 in the interface formed by monolayer graphene and metal atom (Pt, Ni, Pd, Co) doped Cu-nanoclusters: A theoretical design and investigation

•The catalytic reduction paths of CO2 to HCOOH, CH4 and CH3OH by graphene-supported Cu clusters based catalysts were studied with DFT calculation.•Different doping sites of the catalyst were studied to determine the best catalytic reaction site, and the catalytic activity of the catalyst was improved by metal atom doping.•The order of CO2 reduction activity of graphene-supported Cu cluster based catalysts is Cu12Co/G>Cu12Ni/G>Cu12Pd/G>Cu12Pt/G>Cu13/G.