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Figure 1
Main panel: The number of cations (×) and anions (+) present in the carbon nanotubes at complete filling, per unit length, as a function of diameter, D. The number of anions is divided by three to account for electroneutrality. The solid and dashed curves show the predicted number of ions present from a simple bulk filling analysis, assuming crystalline and liquid densities, respectively. The vertical dashed lines highlight the `boundaries' between the construction of single-, double- and triple-cation-centred polyhedral crystal structures, respectively. The arrows below the x axis indicate the diameters of the (16,0), (18,0) and (19,0) carbon nanotubes which are used as examples of the three filling regimes in the main text. Inset: An example filling profile for the (18,0) carbon nanotube showing the number of ions inside the nanotube, normalized by the number of ions per molecule, as a function of time. The black and green lines are for the cations and anions, respectively. The dashed lines represent two plateaus corresponding to the formation of relatively stable `intermediate' structures on filling. The points along the x axis in the main panel correspond to the diameters of specific C-SWNTs. From low to high diameter, these are the (16,0), (17,0), (10,10), (16,3), (14,6), (18,0), (17,2), (16,4), (15,6), (19,0), (17,4), (15,7), (19,1), (18,3), (16,6), (17,5), with diameters 12.53, 13.31, 13.56, 13.85, 13.92, 14.09, 14.16, 14.35, 14.67, 14.87, 15.12, 15.24, 15.28, 15.40, 15.42, 15.64 Å, respectively.

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