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 journalArticlepeer-review

7 Citations (Scopus)


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
Issue number22
Publication statusPublished - Jun 8 2001

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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