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. 2017 Feb 6;114(8):1795–1800. doi: 10.1073/pnas.1612106114

Fig. 7.

Fig. 7.

Reactive trajectories for *CO–CHO formation at the high coverage of surface H (H* in 1 ML) from AIMD simulation at 298 K (A) one *CHO and one nonadsorbed CO, (B) transition state, and (C) *CO-CHO. The solvent water molecules are hidden for viewing convenience. The colors are Cu in orange, C in gray, H in yellow, and O in red. The reaction barrier is 0.71 eV.