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Published on: November 12, 2014
A Theoretical Study on the Strain Energy of Carbon Nanobelts
Yasutomo Segawa1,2, Akiko Yagi2, Hideto Ito2
1JST, ERATO, Itami Molecular Nanocarbon Project, Chikusa, Nagoya 464-8602, Japan.
Abstract:
A theoretical study on the strain energy of carbon nanobelts, i.e. the belt-shaped molecules representing the sidewall structures of carbon nanotubes, is reported. The strain energy of carbon nanobelts with chiral indices (n,n), (n,0), and (n,m) was determined without considering hypothetical homodesmotic reactions. The calculated difference between the strain energy of carbon nanobelts and their possible precursors is expected to be of great utility for future synthetic purposes.
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