Structure of new carbon phases from carbyne nanorings

Structure of new carbon phases from carbyne nanorings

Model calculations of hypothetical carbon structures composed of carbon atoms in the sp-hybridization state have been performed by the molecular-mechanics and ab initio methods. The possibility of stable existence of 1D, 2a, and 3a chain structures from carbon nano rings is established. A mechanism...

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Veröffentlicht in:Crystallography reports 2007-03, Vol.52 (2), p.343-348
Hauptverfasser: Belenkov, E. A., Shabiev, F. K.
Format: Artikel
Sprache:eng
Schlagworte:
CARBON
HYBRIDIZATION
MATERIALS SCIENCE
NANOSTRUCTURES
SIMULATION
SYNTHESIS
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Zusammenfassung:Model calculations of hypothetical carbon structures composed of carbon atoms in the sp-hybridization state have been performed by the molecular-mechanics and ab initio methods. The possibility of stable existence of 1D, 2a, and 3a chain structures from carbon nano rings is established. A mechanism of synthesis of such structures is proposed.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774507020307