Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3

Yi Chia Lee; Jiří Kolafa; Larry A. Curtiss; Mark A. Ratner; Duward F. Shriver

doi:10.1063/1.1372328

Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl₃

Yi Chia Lee^*, Jiří Kolafa, Larry A. Curtiss, Mark A. Ratner, Duward F. Shriver

^*Corresponding author for this work

Chemistry

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Abstract

The molecular orbital calculations were performed on the species predicted by molecular dynamics (MD) simulations. Different molar ratios of molten salt system of lithium were prepared and characterized by Raman spectra and thermal analysis. Impedance spectroscopy was used to measure ionic conductivities. The MD simulation method and molecular orbital calculation were carried to compare the bond distance and vibrational frequencies with experimental data.

Original language	English (US)
Pages (from-to)	9998-10009
Number of pages	12
Journal	Journal of Chemical Physics
Volume	114
Issue number	22
DOIs	https://doi.org/10.1063/1.1372328
State	Published - Jun 8 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1372328

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title = "Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3",

abstract = "The molecular orbital calculations were performed on the species predicted by molecular dynamics (MD) simulations. Different molar ratios of molten salt system of lithium were prepared and characterized by Raman spectra and thermal analysis. Impedance spectroscopy was used to measure ionic conductivities. The MD simulation method and molecular orbital calculation were carried to compare the bond distance and vibrational frequencies with experimental data.",

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AU - Shriver, Duward F.

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AB - The molecular orbital calculations were performed on the species predicted by molecular dynamics (MD) simulations. Different molar ratios of molten salt system of lithium were prepared and characterized by Raman spectra and thermal analysis. Impedance spectroscopy was used to measure ionic conductivities. The MD simulation method and molecular orbital calculation were carried to compare the bond distance and vibrational frequencies with experimental data.

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Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl₃

Abstract

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