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Stability of sp{sup 2}-carbon single layer nanostructures

Abstract

Full text: Sp{sup 2}-hybridised carbon is quite versatile in its ability to build atomic structures. Although graphite is the most common and best known sp{sup 2}-carbon compound, recent discoveries of the C{sub 60} molecule and the related nanotubes have shown that networks of three-fold coordinated carbon atoms may result in a wide range of geometries. This has led to the postulation that structures such as the negatively curved schwarzites and tori may also be synthesized. In particular, theoretical calculations have shown the cohesive energy of schwarzites to be higher than that of C{sub 60}. Presented here is an analytical model describing the energetics of the most common sp{sup 2}-carbon single nanostructures as well as the hypothetical P-schwarzite. An expression for the energy with respect to a flat graphite sheet is written as the sum of a strain energy term (arising from curving of the carbon network) and a dangling bond energy term (not negligible in an inert environment). The relative stability of carbon spheres, tubes, planes and minimal surfaces is then investigated as a function of the dangling bond energy. In an inert atmosphere (large dangling bond energy), the cylinder appears to be the most stable geometry up to a  More>>
Authors:
Bourgeois, L N; Bursill, L A [1] 
  1. University of Melbourne, Parkville, VIC (Australia). School of Physics
Publication Date:
Dec 31, 1996
Product Type:
Conference
Report Number:
INIS-AU-0032; CONF-9602146-
Reference Number:
SCA: 664200; PA: AIX-30:033695; EDB-99:076483; SN: 99002119891
Resource Relation:
Conference: 20. condensed matter physics meeting, Wagga Wagga (Australia), Feb 1996; Other Information: PBD: 1996; Related Information: Is Part Of Twentieth ANZIP condensed matter physics meeting. Conference handbook; PB: 213 p.
Subject:
66 PHYSICS; ANALYTICAL SOLUTION; BINDING ENERGY; CARBON; FULLERENES; GEOMETRY; MATHEMATICAL MODELS; SHEETS; STABILITY; TUBES
OSTI ID:
362919
Research Organizations:
Monash Univ., Clayton, VIC (Australia). Dept. of Physics
Country of Origin:
Australia
Language:
English
Other Identifying Numbers:
Other: ON: DE99627390; TRN: AU9918187033695
Availability:
INIS; OSTI as DE99627390
Submitting Site:
AUN
Size:
pp. 101
Announcement Date:

Citation Formats

Bourgeois, L N, and Bursill, L A. Stability of sp{sup 2}-carbon single layer nanostructures. Australia: N. p., 1996. Web.
Bourgeois, L N, & Bursill, L A. Stability of sp{sup 2}-carbon single layer nanostructures. Australia.
Bourgeois, L N, and Bursill, L A. 1996. "Stability of sp{sup 2}-carbon single layer nanostructures." Australia.
@misc{etde_362919,
title = {Stability of sp{sup 2}-carbon single layer nanostructures}
author = {Bourgeois, L N, and Bursill, L A}
abstractNote = {Full text: Sp{sup 2}-hybridised carbon is quite versatile in its ability to build atomic structures. Although graphite is the most common and best known sp{sup 2}-carbon compound, recent discoveries of the C{sub 60} molecule and the related nanotubes have shown that networks of three-fold coordinated carbon atoms may result in a wide range of geometries. This has led to the postulation that structures such as the negatively curved schwarzites and tori may also be synthesized. In particular, theoretical calculations have shown the cohesive energy of schwarzites to be higher than that of C{sub 60}. Presented here is an analytical model describing the energetics of the most common sp{sup 2}-carbon single nanostructures as well as the hypothetical P-schwarzite. An expression for the energy with respect to a flat graphite sheet is written as the sum of a strain energy term (arising from curving of the carbon network) and a dangling bond energy term (not negligible in an inert environment). The relative stability of carbon spheres, tubes, planes and minimal surfaces is then investigated as a function of the dangling bond energy. In an inert atmosphere (large dangling bond energy), the cylinder appears to be the most stable geometry up to a certain size (about 40 atoms only). Above this number of atoms, the sphere is found to be energetically favoured. In a reactive environment, flat sheets are found to have the lowest energy, as expected. The other structures appeared to be always less stable than tubes, spheres and planes. However, small proportions of negatively curved sheets may occur at high temperatures. These results are compared with known experimental facts}
place = {Australia}
year = {1996}
month = {Dec}
}