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The control of inorganic nanotube morphology using an applied potential.

Abstract:

Molecular dynamics computer simulations of the filling of carbon nanotubes (CNTs) by a generic molten salt to form hexagonal-net-based inorganic nanotubes (INTs) are described. A model is introduced to incorporate CNT metallicity which imposes variable Gaussian charges on each atomic site in order to retain an equipotential. The inclusion of CNT metallicity is observed to have no significant effect on the distribution of the INT morphologies formed as compared with the filling of non-metallic...

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Publication status:
Published

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Authors


Gingrich, TR More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
Journal of physics. Condensed matter : an Institute of Physics journal
Volume:
23
Issue:
13
Pages:
135306
Publication date:
2011-04-05
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:8e8780ac-1d48-4f2e-8ca7-323b86372ce3
Source identifiers:
132450
Local pid:
pubs:132450

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