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

研究成果: ジャーナルへの寄稿Conference article

32 引用 (Scopus)

抄録

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.

元の言語英語
ページ(範囲)581-583
ページ数3
ジャーナルJournal of Power Sources
97-98
DOI
出版物ステータス出版済み - 7 1 2001
イベント10th International Meeting on Lithium Batteries - Como, イタリア
継続期間: 5 28 20016 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

これを引用

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.

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

研究成果: ジャーナルへの寄稿Conference 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, 巻. 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. :: Journal of Power Sources. 2001 ; 巻 97-98. pp. 581-583.
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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.",
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AU - Kita, Fusaji

AU - Sakata, Hideo

AU - Kawakami, Akira

AU - Kamizori, Haruki

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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