Fig. 1
From: Efficient upgrading of CO to C3 fuel using asymmetric C-C coupling active sites
DFT calculations on C1–C1 and C1–C2 coupling. DFT calculated reaction barriers (Ea) for C1–C1 and C1–C2 coupling on screened M-doped Cu systems (M = Ag, Au, Ru, Rh, and Pd). The geometries of M-doped Cu surface, C1, C2, and C3 on M-doped Cu are shown with the corresponding labels, respectively. Cu, M, C, and O are illustrated as orange, light blue, gray, and red balls, respectively, while water molecules are shown as lines
