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

Fig. 6.

Fig. 6.

Reactive trajectories of *CHO formation for high coverage of surface H (1 ML of H*) from AIMD simulations at 298 K (A) nonadsorbed CO, (B) transition state, and (C) *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 1.01 eV.