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JOURNALS // Nanosystems: Physics, Chemistry, Mathematics // Archive

Nanosystems: Physics, Chemistry, Mathematics, 2010 Volume 1, Issue 1, Pages 54–62 (Mi nano596)

Structure of carbynoid nanotubes

E. A. Belenkov, I. V. Shakhova

Chelyabinsk State University

Abstract: The theoretical analysis of possible structure of carbynoid layers and nanotubes was carried out. The geometrical optimized structure fragments of layers, fragments of nanotubes and carbynofullerenes, consisting from of carbyne chains connected among themselves by carbon atoms in the state of sp2 hybridization was calculated. The energy characteristics carbynoid nanostructures were determined. Was established, that nanotubes should be formed from carbynoid layers, if the number of carbyne chains in cross section layer will be 7 and more.

Keywords: carbyne, carbon nanotubes, fullerenes, computer modeling, structure formation.

UDC: 546.26

PACS: 61.46.Np, 61.48.De



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