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Elastic distortions of carbon nanotubes induced by chiral fullerene chains.

Abstract:

We show that when Y@C82 metallofullerenes are inserted into single-walled carbon nanotubes (SWNTs) with large diameters of 2 nm, the minimum energy configuration is a double-helix chiral structure extending over hundreds of nanometers. We demonstrate rotation of the double-helix fullerene chain within the nanotube host that induces real time elastic distortions of the nanotube in a crank-shaft manner. Molecular dynamics simulations, employing an atomic description of the confining SWNT and a ...

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Publication status:
Published

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Publisher copy:
10.1021/nn101111b

Authors


Warner, JH More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
ACS nano
Volume:
4
Issue:
7
Pages:
4011-4016
Publication date:
2010-07-05
DOI:
EISSN:
1936-086X
ISSN:
1936-0851
URN:
uuid:e676dc26-d3b7-495f-aa79-93a0a21d6219
Source identifiers:
66223
Local pid:
pubs:66223
Language:
English
Keywords:

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