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Elastic Warping of Graphitic Carbon Sheets: Relative Energies of Some Fullerenes, Schwarzites and Buckytubes
S. T. Hyde and M. O'Keeffe
Philosophical Transactions: Mathematical, Physical and Engineering Sciences
Vol. 354, No. 1715, Curved Surfaces in Chemical Structure (Sep. 16, 1996), pp. 1999-2008
Published by: Royal Society
Stable URL: http://www.jstor.org/stable/54576
Page Count: 10
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The energies of hypothetical and the already found `graphitic' (sp2) carbon networks with hyperbolic (`schwarzites'), elliptic (`fullerenes') and parabolic (`buckytubes') curvatures are compared with a simple elastic model of the warping energy of a spontaneously flat graphite sheet, analogous to bending energy models for amphiphilic membranes, invoking both bend and twist contributions. Splay and saddle splay moduli are estimated to be 190kT and -65kT, respectively, an order of magnitude stiffer than typical amphiphilic bilayer membranes. The model accounts adequately for relative self-energies of most curved graphitic networks. Many proposed allotropes of carbon may thus be treated as two dimensional warped layer-structures.
Philosophical Transactions: Mathematical, Physical and Engineering Sciences © 1996 Royal Society