Anion cryptands: a way to increased cation transport in polymer electrolytes

被引：16

作者：

Johansson, P ^{[1
]}

机构：

[1] Chalmers Univ Technol, Dept Expt Phys, SE-41296 Gothenburg, Sweden

来源：

ELECTROCHIMICA ACTA | 2003年 / 48卷 / 14-16期

关键词：

cryptand; anion coordination; ab initio; polymer electrolytes; batteries;

D O I：

10.1016/S0013-4686(03)00217-2

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

The complexation of different simple anions (F-, Cl-, BF4- and ClO4-) with a neutral cryptand, with neutral B-N dipoles as functional units, and modifications thereof has been studied using ab initio Hartree-Fock calculations. F- is the most strongly preferred anion for all cryptand versions, except for the largest cavity cryptand for which Cl- is preferred. The formed complexes in general show very low lithium ion affinities, much lower than those for anions such as PF6- and TFSI (by up to 50%). The lowest lithium affinity is obtained for the combination of the smallest cryptand and the F- anion. Implications of using these cryptands in polymer electrolytes are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

引用

页码：2291 / 2294

页数：4

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