851640.fig.006a
(a)
851640.fig.006b
(b)
851640.fig.006c
(c)
851640.fig.006d
(d)
Figure 6: Contour plots of the potential energy surfaces showing the saddle point of the reaction path for the hydrogen oxidation at a monolayer of Pd deposited on different substrates M(111). The projections are done on the plane of the solvent coordinate 𝑞 and the distance between both hydrogen atoms relative to the equilibrium in the molecule.