An ab initio approach to the single ion transport in crystalline LiIPF6PEO6
Journal article, 2003

The lithium ion transport in crystalline LiPF 6 PEO 6 has been modeled by ab initio electronic structure calculations. The activation energy values obtained using a molecular model correspond excellently to experimental values from conductivity measurements. Based on the present results structural modifications in order to further enhance the single ion conductivity are suggested. © 2003 Elsevier Science Ltd. All rights reserved.


Patrik Johansson

Chalmers, Department of Experimental Physics

Per Jacobsson

Chalmers, Applied Physics

Electrochimica Acta

0013-4686 (ISSN)

Vol. 48 14-16 2279-2281

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