Abstract
A clear understanding of the interactions between the building blocks of self-assembled molecular materials is essential for rational design of functional nanostructures. Intermolecular interactions have been investigated for three different classes of fullerenes in single-walled carbon nanotubes (SWNTs); van der Waals molecule – molecule and molecule – SWNT interactions control the geometry of the molecular arrays inside nanotubes; electrostatic intermolecular forces influence the alignment of polar endohedral fullerenes M@C82; and hydrogen bonding between functionalised fullerenes has a significant effect on the selectivity of insertion of functionalised fullerenes into SWNTs.
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