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Structure and silver ion transport in AgI-Ag2MoO4 glasses: A molecular dynamics study

Karthikeyan, A and Rao, KJ (1997) Structure and silver ion transport in AgI-Ag2MoO4 glasses: A molecular dynamics study. In: Journal of Physical Chemistry B, The, 101 (16). pp. 3105-3114.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp962100q


The structure and dynamics of silver ion conducting AgI-Ag2MoO4 glasses have been simulated by molecular dynamics simulation over a wide range of compositions. Formation of silver iodide like aggregates have been identified only in the AgI rich glasses. Increase in silver ion conductivity with an increase in AgI content in the glass is seen as in experiments. The dynamics of ion transport suggests that Ag+ ion transport occurs largely through paths connected by silver ion sites of mixed iodide-oxide coordination. The Van Hove correlation functions indicate that Ag+ ions prefer migration along the pathways formed with connected sites of similar coordination.

Item Type: Journal Article
Publication: Journal of Physical Chemistry B, The
Publisher: American Chemical Society
Additional Information: Copyright of this article belongs to American Chemical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 24 Jun 2011 05:33
Last Modified: 24 Jun 2011 05:33
URI: http://eprints.iisc.ac.in/id/eprint/38494

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