Fig. 3.
Schematic images of different molecular orientations. (A) pentagon orientation, (B) hexagon orientation, (C) polymer orientation. i, ii, iii: The calculated total energy of rotating C60 in SWNTs with different diameters, (9, 9), (10, 10), and (11, 11). iv: A rotating path that covers all of the three orientations mentioned in the text; rotation from c to a to b corresponding to the horizontal axis in the energy spectra (i, ii, iii).
