Wobbling C2 units

Figure 4.5 shows time profiles of carbon sp hybridization for representative trajectories of (3,3), (5,5) and (10, 10) SWCNTs. The counts are affected by the previous two factors, namely the creation of C fragments (sp hybridized species), and the formation of non-hexagonal, n-membered rings. Wobbling C2 units and C2 fragments appear in these plots as sp carbon atoms. Free carbon atoms, having no... 

Fig. 31.3. REBO MD of a (5,5) open-ended SWNT of 7.5 A length at 3000 K. Structural transformations occur mainly in the center of the tube, almost never at the edges. No wobbling C2 units are observed at all.

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