Structural and thermal stability of narrow and short carbon nanotubes and nanostrips |
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Authors: | MJ López I Cabria JA Alonso |
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Affiliation: | a Departamento de Física Teórica. Universidad de Valladolid, 47011 Valladolid, Spain b Department of Physics, University of Antwerp, B-2020 Antwerp, Belgium and Oxford University, Oxford, UK |
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Abstract: | We have studied the relative stability of narrow-finite length Carbon nanotubes and nanostrips as a function of their length. We find that the critical radius (∼2 Å) for tube stability is independent of the length of the tubes and equals the critical radius of infinite length tubes. The independence of the critical radius on chirality is also established. We have also investigated the thermal stability of short nanotubes and nanostrips by performing extensive molecular dynamics simulations. The strips exhibit a higher thermal stability than the tubes even in those cases when they are structurally less stable. The thermal decomposition temperature (∼1000 K) of the tubes comes out in good agreement with the experiments. |
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Keywords: | Carbon nanotubes Molecular simulation Bonding Phase transitions |
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