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 article

32 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 1 2001
Event10th International Meeting on Lithium Batteries - Como, Italy
Duration: May 28 2001Jun 2 2001

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Electrochemical properties
Electrolytes
Electronic structure
Anions
thermal stability
Negative ions
Salts
electrolytes
dissociation
Ions
electronic structure
anions
salts
Computational methods
cells
ions
Thermodynamic stability
Oxidation
conductivity
oxidation

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

Cite this

Kita, F., Sakata, H., Kawakami, A., Kamizori, H., Sonoda, T., Nagashima, H., ... Yagupolskii, Y. L. (2001). Electronic structures and electrochemical properties of LiPF6-n(CF3)n. Journal of Power Sources, 97-98, 581-583. https://doi.org/10.1016/S0378-7753(01)00695-4

Electronic structures and electrochemical properties of LiPF6-n(CF3)n. / Kita, Fusaji; Sakata, Hideo; Kawakami, Akira; Kamizori, Haruki; Sonoda, Takaaki; Nagashima, Hideo; Pavlenko, Natalya V.; Yagupolskii, Yurii L.

In: Journal of Power Sources, Vol. 97-98, 01.07.2001, p. 581-583.

Research output: Contribution to journalConference article

Kita, F, Sakata, H, Kawakami, A, Kamizori, H, Sonoda, T, Nagashima, H, Pavlenko, NV & Yagupolskii, YL 2001, 'Electronic structures and electrochemical properties of LiPF6-n(CF3)n', Journal of Power Sources, vol. 97-98, pp. 581-583. https://doi.org/10.1016/S0378-7753(01)00695-4
Kita, Fusaji ; Sakata, Hideo ; Kawakami, Akira ; Kamizori, Haruki ; Sonoda, Takaaki ; Nagashima, Hideo ; Pavlenko, Natalya V. ; Yagupolskii, Yurii L. / Electronic structures and electrochemical properties of LiPF6-n(CF3)n. In: Journal of Power Sources. 2001 ; Vol. 97-98. pp. 581-583.
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AU - Sonoda, Takaaki

AU - Nagashima, Hideo

AU - Pavlenko, Natalya V.

AU - Yagupolskii, Yurii L.

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N2 - 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.

AB - 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.

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