• Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study

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    • Keywords


      diffusion; superionic conductor; molten salt.

    • 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. 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.

    • Author Affiliations


      Srinivasa R Varanasi1 S Yashonath1

      1. Solid Sate and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India
    • Dates

  • Journal of Chemical Sciences | News

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