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

Research output: Contribution to journalArticlepeer-review

10 Scopus citations


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 (US)
Pages (from-to)9998-10009
Number of pages12
JournalJournal of Chemical Physics
Issue number22
StatePublished - Jun 8 2001

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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