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pi-stacking interaction between carbon nanotubes and organic molecules

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Tournus, F Latil, S. Heggie, MI Charlier, Jean-Christophe [UCL]

The pi-stacking interaction between various planar organic molecules is investigated within the framework of ab initio calculations. The adsorption of these molecules on the sidewall of the cylindrical carbon structure induces a small binding energy compared to conventional covalent functionalization. Such a weak interaction is found to be only physisorption and leads to minor and predictable modifications of the electronic structure. These changes in the electronic behavior of the host carbon nanotube are ruled by the relative positions of the molecular levels of the isolated molecule and both the valence and conduction bands of the perfect tube.

Document type Article de périodique (Journal article) – Article de recherche
Publication date 2005
Language Anglais
Journal information "Physical review. B, Condensed matter and materials physics" - Vol. 72, no. 7, p. 075431 (2005)
Peer reviewed yes
Publisher American Physical Soc (College Pk)
issn 1098-0121
Publication status Publié
Affiliation UCL
Links
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Bibliographic reference Tournus, F ; Latil, S. ; Heggie, MI ; Charlier, Jean-Christophe. pi-stacking interaction between carbon nanotubes and organic molecules. In: Physical review. B, Condensed matter and materials physics, Vol. 72, no. 7, p. 075431 (2005)
Permanent URL http://hdl.handle.net/2078.1/39143