612672.fig.003a
(a)
612672.fig.003b
(b)
Figure 3: (a) Optimized structure for the ( 5 , 5 ) nanotube attached by one diketone group, where the CC bond at the binding site opens. (b) The other type of the nanotube attached by one oxygen pair, where the OO bond as well as the CC bond at the binding site retain.