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Title: Orientation of C{sub 70} molecules in peapods as a function of the nanotube diameter

Abstract

Encapsulated C{sub 70} molecules packed in single-walled carbon nanotubes display different orientations depending on the nanotube radius. We present x-ray scattering data obtained on a powder of nanotubes filled with C{sub 70} molecules. Analytical expressions for calculating the diffraction diagram taking into account fullerene orientations are developed. The comparison between calculations and experiments allows us to conclude that the change from the lying to standing orientation--corresponding to the molecule long axis parallel and perpendicular to the tube axis, respectively--takes place when nanotubes reach a diameter of about 1.42 nm. Energy calculations are performed using a Lennard-Jones (6-12) potential, leading to a calculated reorientation diameter in good agreement with that determined experimentally.

Authors:
; ;  [1]; ;  [2]
  1. Laboratoire de Physique des Solides, UMR CNRS 8502, bat. 510, Universite Paris Sud, 91 405 Orsay Cedex (France)
  2. CEMES, CNRS, 29 rue Jeanne Marvig, 31055 Toulouse Cedex 4 (France)
Publication Date:
OSTI Identifier:
20976661
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 75; Journal Issue: 3; Other Information: DOI: 10.1103/PhysRevB.75.035416; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; COMPARATIVE EVALUATIONS; FULLERENES; LENNARD-JONES POTENTIAL; MOLECULES; NANOTUBES; ORIENTATION; POWDERS; TUBES; X-RAY DIFFRACTION

Citation Formats

Chorro, Matthieu, Delhey, Axel, Launois, Pascale, Noe, Laure, and Monthioux, Marc. Orientation of C{sub 70} molecules in peapods as a function of the nanotube diameter. United States: N. p., 2007. Web. doi:10.1103/PHYSREVB.75.035416.
Chorro, Matthieu, Delhey, Axel, Launois, Pascale, Noe, Laure, & Monthioux, Marc. Orientation of C{sub 70} molecules in peapods as a function of the nanotube diameter. United States. doi:10.1103/PHYSREVB.75.035416.
Chorro, Matthieu, Delhey, Axel, Launois, Pascale, Noe, Laure, and Monthioux, Marc. Mon . "Orientation of C{sub 70} molecules in peapods as a function of the nanotube diameter". United States. doi:10.1103/PHYSREVB.75.035416.
@article{osti_20976661,
title = {Orientation of C{sub 70} molecules in peapods as a function of the nanotube diameter},
author = {Chorro, Matthieu and Delhey, Axel and Launois, Pascale and Noe, Laure and Monthioux, Marc},
abstractNote = {Encapsulated C{sub 70} molecules packed in single-walled carbon nanotubes display different orientations depending on the nanotube radius. We present x-ray scattering data obtained on a powder of nanotubes filled with C{sub 70} molecules. Analytical expressions for calculating the diffraction diagram taking into account fullerene orientations are developed. The comparison between calculations and experiments allows us to conclude that the change from the lying to standing orientation--corresponding to the molecule long axis parallel and perpendicular to the tube axis, respectively--takes place when nanotubes reach a diameter of about 1.42 nm. Energy calculations are performed using a Lennard-Jones (6-12) potential, leading to a calculated reorientation diameter in good agreement with that determined experimentally.},
doi = {10.1103/PHYSREVB.75.035416},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 3,
volume = 75,
place = {United States},
year = {Mon Jan 15 00:00:00 EST 2007},
month = {Mon Jan 15 00:00:00 EST 2007}
}
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