Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes

M. Buongiorno Nardelli, C. Brabec, A. Maiti, C. Roland, and J. Bernholc
Phys. Rev. Lett. 80, 313 – Published 12 January 1998
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Abstract

Using a realistic many-body potential, we have simulated the properties of double-walled carbon nanotubes with the aim of investigating the role of lip-lip interactions on nanotube growth. Surprisingly, the lip-lip interaction by itself does not stabilize open-ended growth, but rather facilitates tube closure by mediating the transfer of atoms between inner and outer shells. A simulation of growth on a wide double-wall nanotube leads to considerable deviations from the ideal structure, in contrast to corresponding simulations for single-wall tubes, which result in nearly perfect structures.

  • Received 1 August 1997

DOI:https://doi.org/10.1103/PhysRevLett.80.313

©1998 American Physical Society

Authors & Affiliations

M. Buongiorno Nardelli1, C. Brabec1, A. Maiti2, C. Roland1, and J. Bernholc1

  • 1Department of Physics, North Carolina State University, Raleigh, North Carolina 27695
  • 2Molecular Simulations, Inc., Burlington, Massachussetts 01803-5297

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Vol. 80, Iss. 2 — 12 January 1998

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