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π-stacking interaction between carbon nanotubes and organic molecules

Tournus, F, Latil, S, Heggie, MI and Charlier, JC (2005) π-stacking interaction between carbon nanotubes and organic molecules Physical Review B - Condensed Matter and Materials Physics, 72 (7).

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Abstract

The π -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. © 2005 The American Physical Society.

Item Type: Article
Authors :
NameEmailORCID
Tournus, FUNSPECIFIEDUNSPECIFIED
Latil, SUNSPECIFIEDUNSPECIFIED
Heggie, MIm.heggie@surrey.ac.ukUNSPECIFIED
Charlier, JCUNSPECIFIEDUNSPECIFIED
Date : 15 August 2005
Identification Number : https://doi.org/10.1103/PhysRevB.72.075431
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:42
Last Modified : 17 May 2017 12:42
URI: http://epubs.surrey.ac.uk/id/eprint/836424

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