Abstract
This chapter provides an overview of the geometry–property relation in cylindrical nanocarbon materials. Progressive research in the past years has unveiled an intriguing correlation between geometric modulation and physical properties that were experimentally observed or theoretically predicted for nanocarbon cylinders. The first half of this chapter is devoted to axially corrugated nanocarbon cylinders, so-called peanut-shaped C60 polymers, in which axial corrugation induces drastic changes in electronic and optical properties that are distinct from the case of straight, noncorrugated cylinders. In the second half, we will see that the application of hydrostatic pressure to carbon nanotubes yields another class of corrugation, i.e., flower-shaped cross-sectional deformation. Molecular dynamics simulations of such radial corrugation and its consequences to physicochemical properties of multiwall nanotubes are also discussed.
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Notes
- 1.
Mapping the discrete atomic structure of one-dimensional C\(_{60}\) polymers to a continuum curved surface is based on the result of first-principles calculations (Beu et al. (2005)), which indicated that \(\pi \) electrons on the polymers are almost free from their atomic configurations.
- 2.
It is noted that Eq. (5) can formally deal with an uncurved one-dimensional system subject to a periodically electrostatic potential. In a similar manner to the present curved system, therefore, \(\alpha \) and \(\beta \) are expected to be shifted even for an uncurved quantum wire by electric-field modulation (Shima et al. (2010)).
- 3.
For larger radius SWNTs, the peanut-like deformed structure can be transformed to dumbbell-like configurations by van der Waals (vdW) attractions between the opposite walls of the nanotubes. The latter structure is energetically stable even when the applied force is unloaded.
- 4.
A radial pressure large enough to cause corrugation can be achieved by electron-beam irradiation (Krasheninnikov and Nordlund (2010)), the self-healing nature of eroded carbon walls gives rise to a spontaneous contraction that exerts a high pressure on the inner walls to yield their radial corrugation (Shima et al. (2010)).
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Shima, H. (2014). Geometry–Property Relation in Corrugated Nanocarbon Cylinders. In: Tserpes, K., Silvestre, N. (eds) Modeling of Carbon Nanotubes, Graphene and their Composites. Springer Series in Materials Science, vol 188. Springer, Cham. https://doi.org/10.1007/978-3-319-01201-8_6
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