907129.fig.007a
(a)
907129.fig.007b
(b)
907129.fig.007c
(c)
907129.fig.007d
(d)
Figure 7: DFT-calculated transition states for the activation of the O–H bond of ethanol adsorbed to Au by (a) metal surface atom or (b) a coadsorbed hydroxyl intermediate on Au(111). The activation of the C–H bonds of the adsorbed ethoxy are activated similarly via (c) Au atoms in the Au(111) surface or (b) via the bound OH groups on the Au(111) surface. The active bond breaking and forming sites are highlighted in green.