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Continuum modelling for interactions between fullerenes and other carbon nanostructures

Journal Article


Abstract


  • The non-bonded interactions between carbon nanostructures are studied in this paper. In particular, we focus on various interactions which involve a fullerene molecule. Using the Lennard-Jones potential and the continuum approach, we provide the potential energy for fullerene-atom interactions and by assuming that this atom is a typical atom on the surface of other carbon nanostructures, we may derive the total potential energy for two non-concentric fullerenes, nested fullerenes, or carbon onions, a fullerene inside a carbon nanotube and nanopeapods. The method shown in this paper can be applied to study the interactions of fullerenes with many other geometries of carbon molecules.

UOW Authors


Publication Date


  • 2009

Citation


  • Thamwattana, N., Baowan, D. & Hill, J. (2009). Continuum modelling for interactions between fullerenes and other carbon nanostructures. Journal of Computational and Theoretical Nanoscience, 6 (5), 972-984.

Scopus Eid


  • 2-s2.0-67449135273

Ro Metadata Url


  • http://ro.uow.edu.au/infopapers/3305

Has Global Citation Frequency


Number Of Pages


  • 12

Start Page


  • 972

End Page


  • 984

Volume


  • 6

Issue


  • 5

Abstract


  • The non-bonded interactions between carbon nanostructures are studied in this paper. In particular, we focus on various interactions which involve a fullerene molecule. Using the Lennard-Jones potential and the continuum approach, we provide the potential energy for fullerene-atom interactions and by assuming that this atom is a typical atom on the surface of other carbon nanostructures, we may derive the total potential energy for two non-concentric fullerenes, nested fullerenes, or carbon onions, a fullerene inside a carbon nanotube and nanopeapods. The method shown in this paper can be applied to study the interactions of fullerenes with many other geometries of carbon molecules.

UOW Authors


Publication Date


  • 2009

Citation


  • Thamwattana, N., Baowan, D. & Hill, J. (2009). Continuum modelling for interactions between fullerenes and other carbon nanostructures. Journal of Computational and Theoretical Nanoscience, 6 (5), 972-984.

Scopus Eid


  • 2-s2.0-67449135273

Ro Metadata Url


  • http://ro.uow.edu.au/infopapers/3305

Has Global Citation Frequency


Number Of Pages


  • 12

Start Page


  • 972

End Page


  • 984

Volume


  • 6

Issue


  • 5