Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-03-08
Physics
Condensed Matter
Soft Condensed Matter
4 pages, 4 figures, Physical Review Letters in press
Scientific paper
10.1103/PhysRevLett.98.227802
A microscopic theory for cation diffusion in polymer electrolytes is presented. Based on a thorough analysis of molecular dynamics simulations on PEO with LiBF$_4$ the mechanisms of cation dynamics are characterised. Cation jumps between polymer chains can be identified as renewal processes. This allows us to obtain an explicit expression for the lithium ion diffusion constant D_{Li} by invoking polymer specific properties such as the Rouse dynamics. This extends previous phenomenological and numerical approaches. In particular, the chain length dependence of D_{Li} can be predicted and compared with experimental data. This dependence can be fully understood without referring to entanglement effects.
Heuer Andreas
Maitra Ashok
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