Ordering and interaction of molecules encapsulated in carbon nanotubes

A. N. Khlobystov*, K. Porfyrakis, D. A. Britz, M. Kanai, R. Scipioni, S. G. Lyapin, J. G. Wiltshire, A. Ardavan, D. Nguyen-Manh, R. J. Nicholas, D. G. Pettifor, T. J.S. Dennis, G. A.D. Briggs

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)969-974
Number of pages6
JournalMaterials Science and Technology
Issue number8
Publication statusPublished - Aug 2004
Externally publishedYes


  • Carbon nanotubes
  • Fullerenes
  • Hydrogen bonding
  • Self-assembly
  • Van der Waals interactions


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