Varanasi, Srinivasa R and Yashonath, S (2012) Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study. In: Journal of Chemical Sciences, 124 (1, SI). pp. 159-166.
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Official URL: http://www.ias.ac.in/chemsci/
Abstract
A molecular dynamics study of the dependence of diffusivity of the cation on ionic radii in molten AgI is reported. We have employed modified Parinello-Rahman-Vashistha interionic pair potential proposed by Shimojo and Kobayashi.(1) Our results suggest that the diffusivity of the cation exhibits an increase followed by a decrease as the ionic radius is increased. Several structural and dynamical properties are reported.
| Item Type: | Journal Article |
|---|---|
| Publication: | Journal of Chemical Sciences |
| Publisher: | Indian Academy of Sciences |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 05 Jun 2012 12:45 |
| Last Modified: | 05 Jun 2012 12:56 |
| URI: | http://eprints.iisc.ac.in/id/eprint/44568 |
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