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

doi:10.1016/S0378-7753(01)00695-4

Electronic structures and electrochemical properties of LiPF_6-n(CF₃)_n

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

分子集積化学部門

研究成果: ジャーナルへの寄稿 › 会議記事 › 査読

10 被引用数 (Scopus)

抄録

We evaluated (1) thermal and electrochemical stability and (2) ion-dissociation ability of PF_6-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.

本文言語	英語
ページ（範囲）	581-583
ページ数	3
ジャーナル	Journal of Power Sources
巻	97-98
DOI	https://doi.org/10.1016/S0378-7753(01)00695-4
出版ステータス	出版済み - 7月 2001
イベント	10th International Meeting on Lithium Batteries - Como, イタリア継続期間: 5月 28 2001 → 6月 2 2001

!!!All Science Journal Classification (ASJC) codes

再生可能エネルギー、持続可能性、環境
エネルギー工学および電力技術
物理化学および理論化学
電子工学および電気工学

UN SDG

この成果は、次の持続可能な開発目標に貢献しています

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10.1016/S0378-7753(01)00695-4

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引用スタイル

@article{b1760b89b1754619a0088cfba8d53eb4,

title = "Electronic structures and electrochemical properties of LiPF6-n(CF3)n",

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.",

author = "Fusaji Kita and Hideo Sakata and Akira Kawakami and Haruki Kamizori and Takaaki Sonoda and Hideo Nagashima and Pavlenko, {Natalya V.} and Yagupolskii, {Yurii L.}",

year = "2001",

month = jul,

doi = "10.1016/S0378-7753(01)00695-4",

language = "English",

volume = "97-98",

pages = "581--583",

journal = "Journal of Power Sources",

issn = "0378-7753",

publisher = "Elsevier",

}

TY - JOUR

T1 - Electronic structures and electrochemical properties of LiPF6-n(CF3)n

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.

PY - 2001/7

Y1 - 2001/7

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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U2 - 10.1016/S0378-7753(01)00695-4

DO - 10.1016/S0378-7753(01)00695-4

M3 - Conference article

AN - SCOPUS:0035396057

SN - 0378-7753

VL - 97-98

SP - 581

EP - 583

JO - Journal of Power Sources

JF - Journal of Power Sources

T2 - 10th International Meeting on Lithium Batteries

Y2 - 28 May 2001 through 2 June 2001

ER -