A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes

Smith, G, Borodin, O, Russo, S, Rees, R and Hollenkamp, A 2009, 'A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes', Physical Chemistry Chemical Physics, vol. 11, pp. 9884-9897.


Document type: Journal Article
Collection: Journal Articles

Title A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes
Author(s) Smith, G
Borodin, O
Russo, S
Rees, R
Hollenkamp, A
Year 2009
Journal name Physical Chemistry Chemical Physics
Volume number 11
Start page 9884
End page 9897
Total pages 14
Publisher Royal Society of Chemistry
Abstract Lithium iron phosphate (LiFePO4) is an attractive cathode material for lithium-ion batteries for a number of reasons, including good thermal stability, low fabrication costs (from abundant starting materials), non-toxicity, a reasonably high theoretical specific capacity and an inherently flat voltage-time discharge profile.1 During the charging process, which involves extraction of Li+ from the ordered olivine LiFePO4, the crystal structure is retained with only minor deformations.
Subject Condensed Matter Modelling and Density Functional Theory
Keyword(s) electrochemical performance
lifePO4
DOI - identifier 10.1039/b912820d
Copyright notice The Owner Societies 2009
ISSN 14639076
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