Conduction mechanisms in crystalline LiPF6•PEO6 doped with SiF62- and SF6

被引：20

作者：

Brandell, D

Liivat, A

Aabloo, A

Thomas, JO

机构：

[1] Uppsala Univ, Angstrom Lab, Dept Chem Mat, SE-75121 Uppsala, Sweden

[2] Univ Tartu, Dept Phys, Inst Mat Sci, EE-51010 Tartu, Estonia

[3] Univ Tartu, Inst Technol, EE-51010 Tartu, Estonia

来源：

CHEMISTRY OF MATERIALS | 2005年 / 17卷 / 14期

关键词：

D O I：

10.1021/cm0505401

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular dynamics (MD) simulations have been made under imposed electric fields for crystalline LiPF6-PEO6, (LiPF6)(1-x)(Li2SiF6)(x)-PEO6, and (LiPF6)(1-x)(SF6)(x)-PEO6 for x = 0.01 under standard pressure and temperature conditions with the aim of identifying the conduction mechanisms in the systems. Contrary to the results of earlier experimental investigations where only cation mobility was observed, ionic transport is here found to occur in regions between the polymer hemi-helices, with a high transference number (0.9- 1.0) for the PF6- anions.

引用

页码：3673 / 3680

页数：8

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