Novel polygonized single-wall carbon nanotube bundles |
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Authors: | López M J Rubio A Alonso J A Qin L C Iijima S |
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Affiliation: | Departamento de Física Teórica, Universidad de Valladolid, Spain. maria@rhodas.fam.cie.uva.es |
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Abstract: | We have synthesized novel crystalline ropes of "polygonized" single-wall carbon nanotubes (SWCNTs). The tubes exhibit rounded-hexagonal cross sections in contrast to the earlier observations of nearly circular tubes. To investigate the structural characteristics of the lattice of SWCNTs we have performed extensive molecular-dynamics simulations. We find several metastable structures of the lattice characterized by different tube cross sections, hexagonal, rounded-hexagonal, and circular, and increasing cell volume. The competition between different tube shapes as a function of tube diameter is analyzed and compared to experiments. |
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