Fullerenes

Structure of carbinoid nanotubes and carbinofullerenes

E. A. Belenkov, I. V. Shakhova

Chelyabinsk State University

Abstract: Molecular mechanics methods have been used to calculate the geometrically optimized structure of carbinoid layers, carbinoid nanotubes, and carbinofullerenes consisting of carbine chains linked by atoms in $sp^2$ and/or $sp^3$ hybridization states. Energy characteristics of carbinoid nanostructures have been calculated by semi-empirical quantum-mechanical methods. A structural classification of framework carbinoid nanostructures has been proposed. The dependence of specific binding energies of carbinoid nanostructures on the ratio $sp^2/sp$ and their geometrical sizes has been determined.

Received: 09.03.2011

 English version: Physics of the Solid State, 2011, 53:11, 2385–2392

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