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The filling of flexible carbon nanotubes by molten salts

Abstract:

The direct filling of flexible single-walled carbon nanotubes by model molten salts are described. The simulations advance on previous work, in which the carbon nanotubes were treated as fixed atomistic entities, by considering the carbon nanotubes as fully-flexible. The molten salts are described using two potential models, which vary in the relative energetic stability of two key bulk crystal structures. Small diameter carbon nanotubes are found to favour relatively low symmetry "ladder" an...

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Publication status:
Published

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Publisher copy:
10.1039/b814902j

Authors


Bishop, CL More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
JOURNAL OF MATERIALS CHEMISTRY
Volume:
19
Issue:
19
Pages:
2929-2939
Publication date:
2009
DOI:
EISSN:
1364-5501
ISSN:
0959-9428
URN:
uuid:321506df-cea5-473a-be50-aac41f4aa454
Source identifiers:
60090
Local pid:
pubs:60090
Language:
English

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