2001•Radiation effects and defects in solidsRequires access

Transport and structural properties of the poly(ethylene oxide) lithium triflate polymer electrolyte

C. Richard A. Catlow, Alan V Chadwick, G. Morrison

Abstract

We report a detailed study of the structure and dynamics of the poly(ethylene oxide) lithium triflate (CF3SO3) polymer electrolyte, using molecular dynamics simulation techniques. The calculations predict the self diffusion coefficients of the mobile species correctly and analysis of the molecular dynamics gives new insight into the mechanism of transport and structural properties of the salt species.

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Key concepts: Trifluoromethanesulfonate, Ethylene oxide, Electrolyte, Lithium (medication), Polymer, Molecular dynamics, Salt (chemistry), Oxide