- 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...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1088/0953-8984/23/13/135306
-
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- 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
- Language:
- English
- Keywords:
- Copyright date:
- 2011
Journal article
The control of inorganic nanotube morphology using an applied potential.
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