Energies of sp2 carbon shapes with pentagonal disclinations and elasticity theory

Details Energies of sp2 carbon shapes with pentagonal disclinations and elasticity theory Energies of sp2 carbon shapes with pentagonal disclinations and elasticity theory

2006-03-28

arxiv.org/abs/cond-mat/0603751v2

Nanotechnology 17, 3598 (2006)

Physics

Condensed Matter

Soft Condensed Matter

A version published in Nanotechnology

Scientific paper

10.1088/0957-4484/17/14/040

Energies of a certain class of fullerene molecules (elongated, contracted, and regular icosahedral fullerenes) are numerically calculated using a microscopic description of carbon-carbon bonding. It is shown how these results can be interpreted and comprehended using the theory of elasticity that describes bending of a graphene plane. Detailed studies of a wide variety of structures constructed by application of the same general principle are performed, and analytical expressions for energies of such structures are derived. Comparison of numerical results with the predictions of a simple implementation of elasticity theory confirms the usefulness of the latter approach.

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