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

Autor: Takaaki Sonoda, N. V. Pavlenko, Hideo Nagashima, Hideo Sakata, Yurii L. Yagupolskii, Akira Kawakami, Haruki Kamizori, Fusaji Kita
Rok vydání: 2001
Předmět:
Zdroj: Journal of Power Sources. :581-583
ISSN: 0378-7753
DOI: 10.1016/s0378-7753(01)00695-4
Popis: We evaluated (1) thermal and electrochemical stability and (2) ion-dissociation ability of PF 6-n (CF 3 ) n anions by computational method. The thermal stability order by ΔΔE (anion) is PF 4 (CF 3 ) - 2 > PF 5 (CF 3 ) > PF 3 (CF 3 ) - 3 > PF - 6 . The ion-dissociation ability order by ΔΔE (Li salts) is LiPF 3 (CF 3 ) 3 > LiPF 4 (CF 3 ) 2 > LiPF 5 (CF 3 ) > LiPF 6 . The conductivity of electrolyte solution with LiPF 4 (CF 3 ) 2 (3.9 mS/cm) was a little lower than that of LiPF 6 (4.4 mS/cm) in 0.1 mol/l Li salt/PC:DME electrolyte, while the oxidation potential of LiPF 4 (CF 3 ) 2 in PC was higher than that of LiPF 6 . The LiPF 4 (CF 3 ) 2 -cell showed better cycle characteristics than LiPF 6 -cell.
Databáze: OpenAIRE