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Phys Rev Lett. 2002 Dec 16;89(25):255503. Epub 2002 Dec 2.

Charge distribution and stability of charged carbon nanotubes.

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  • 1Materials Science and Engineering Department, Rensselaer Polytechnic Institute, Troy, New York 12180-3590, USA.

Abstract

Density-functional calculations of charge distribution on negatively and positively charged nanotubes result in charge density profiles characterized by a significant increase of charge density at the tube ends. These results are in quantitative agreement with classical electrostatic analysis, which assumes constant electrostatic potential on the conductive tube surface. At high charging levels, the tube ends are observed to be unstable due to Coulomb repulsion. By combining ab initio calculations with classical electrostatics, we determine, as a function of tube length and geometry of the tube end, the critical voltage beyond which nanotubes are unstable.

PMID:
12484896
[PubMed]
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