Electronic structures and electrochemical properties of LiPF6-n(CF3)n

Fusaji Kita, Hideo Sakata, Akira Kawakami, Haruki Kamizori, Takaaki Sonoda, Hideo Nagashima, Natalya V. Pavlenko, Yurii L. Yagupolskii

Research output: Contribution to journalConference articlepeer-review

33 Citations (Scopus)

Abstract

We evaluated (1) thermal and electrochemical stability and (2) ion-dissociation ability of PF6-n(CF3)n- anions by computational method. The thermal stability order by ΔΔE (anion) is PF4(CF3)2- > PF5(CF3)- > PF3(CF3)3- > PF6-. The ion-dissociation ability order by ΔΔE (Li salts) is LiPF3(CF3)3 > LiPF4(CF3)2 > LiPF5(CF3) > LiPF6. The conductivity of electrolyte solution with LiPF4(CF3)2 (3.9 mS/cm) was a little lower than that of LiPF6 (4.4 mS/cm) in 0.1 mol/l Li salt/PC:DME electrolyte, while the oxidation potential of LiPF4(CF3)2 in PC was higher than that of LiPF6. The LiPF4(CF3)2-cell showed better cycle characteristics than LiPF6-cell.

Original languageEnglish
Pages (from-to)581-583
Number of pages3
JournalJournal of Power Sources
Volume97-98
DOIs
Publication statusPublished - Jul 2001
Event10th International Meeting on Lithium Batteries - Como, Italy
Duration: May 28 2001Jun 2 2001

All Science Journal Classification (ASJC) codes

  • Renewable Energy, Sustainability and the Environment
  • Energy Engineering and Power Technology
  • Physical and Theoretical Chemistry
  • Electrical and Electronic Engineering

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