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

Department of Applied Molecular Chemistry

Research output: Contribution to journal › Conference article › peer-review

33 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	581-583
Number of pages	3
Journal	Journal of Power Sources
Volume	97-98
DOIs	https://doi.org/10.1016/S0378-7753(01)00695-4
Publication status	Published - Jul 2001
Event	10th International Meeting on Lithium Batteries - Como, Italy Duration: May 28 2001 → Jun 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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/S0378-7753(01)00695-4

Cite this

@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 -