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Molecular dynamics study of polarization effects on AgI

Vicente Bitrián1, Joaquim Trullàs

  • 1Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord UPC, Barcelona, Spain.

The Journal of Physical Chemistry. B
|January 22, 2008
PubMed
Summary

Molecular dynamics simulations explored three silver iodide (AgI) models. Polarizable ion models (PIMs) better reproduced experimental data for superionic and molten AgI, highlighting the importance of polarization effects.

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