Fig. 1. Activation energies (ΔEAct) for C–O and N–O bond scissions as a function of (a) reaction energies (ΔEDiss) and (b) the C–O or N–O distances (d) at the transition states on rutile MO2(110) surfaces. Insets: transition-state structures for C–O and N–O bond scission. Blue, vermilion, grey, ochre and white balls represent 3d metals (Ti–Ni) and O, C, N and H atoms, respectively.
