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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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|
|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|
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