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

Research output: Contribution to journalArticle

6 Citations (Scopus)

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 languageEnglish
Pages (from-to)9998-10009
Number of pages12
JournalJournal of Chemical Physics
Volume114
Issue number22
DOIs
Publication statusPublished - Jun 8 2001

Fingerprint

molten salt electrolytes
Orbital calculations
Molecular orbitals
Electrolytes
Molecular dynamics
Molten materials
molecular orbitals
Salts
molecular dynamics
molten salts
Computer simulation
Vibrational spectra
Ionic conductivity
Lithium
Spectrum analysis
Thermoanalysis
ion currents
spectrum analysis
Raman scattering
thermal analysis

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3 . / Lee, Yi Chia; Kolafa, Jiří; Curtiss, Larry A.; Ratner, Mark A; Shriver, Duward F.

In: Journal of Chemical Physics, Vol. 114, No. 22, 08.06.2001, p. 9998-10009.

Research output: Contribution to journalArticle

Lee, Yi Chia ; Kolafa, Jiří ; Curtiss, Larry A. ; Ratner, Mark A ; Shriver, Duward F. / Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3 In: Journal of Chemical Physics. 2001 ; Vol. 114, No. 22. pp. 9998-10009.
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