Lithiated assemblies of metal chalcogenide nanowires
IR@CECRI: CSIR-Central Electrochemical Research Institute, Karaikudi
View Archive Info| Field | Value | |
| Title |
Lithiated assemblies of metal chalcogenide nanowires
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| Creator |
Murugan, P.
Kumar, V. Kawazoe, Y. Ota, N. |
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| Subject |
Functional Materials
Electrochemical Materials Science |
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| Description |
We study hexagonal assemblies of M6X6 M=Mo and W and X=S, Se, and Te nanowires from
first-principles calculations to understand their structural stability, electronic properties, and the
effects of Li intercalation. It is shown that due to van der Waals interactions between the nanowires,
the intercalation is achieved without a significant change in their atomic structure. With an increase
in Li concentration, we predict a new phase for Li3Mo6S6 compound, in which the hexagonal
assembly transforms to a monoclinic structure by a change in the orientation of nanowires. The
LixMo6S6 assemblies are electrically conductive and can be potentially used as cathode materials in
Li-ion batteries for nanoscale applications. The voltage of such a battery, calculated to be 1.7 V,
can be manipulated such as by iodine doping without a significant change in the atomic structure.
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| Publisher |
American Institute of Physics
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| Date |
2008
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| Type |
Article
PeerReviewed |
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| Format |
application/pdf
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| Identifier |
http://cecri.csircentral.net/3/1/003-2008.pdf
Murugan, P. and Kumar, V. and Kawazoe, Y. and Ota, N. (2008) Lithiated assemblies of metal chalcogenide nanowires. Applied Physics Letters, 92 (20). pp. 203112-1. |
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| Relation |
http://cecri.csircentral.net/3/
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