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Journal of Materials Science
Erschienen in: Journal of Materials Science 6/2016

01.03.2016 | Original Paper

Density functional theory study of diffusion of lithium in Li–Sn alloys

verfasst von: Jianjian Shi, Zhiguo Wang, Y. Q. Fu

Erschienen in: Journal of Materials Science | Ausgabe 6/2016

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Abstract

Diffusion of Li in Li x Sn alloys was investigated using a density functional theory in order to fully understand the lithiation process in these types of Li ion batteries. Variation of the calculated open-circuit voltages of the Li x Sn alloys was found to agree well with experimental results. Diffusion coefficients of the Li in the Li x Sn alloys were calculated to be in the range between 6.6 × 10−8 and 5.6 × 10−7 cm2 s−1 at room temperature, which is within the range between 8.0 × 10−8 and 5.9 × 10−7 cm2 s−1 obtained from the experimental measurement.
Vorheriger Artikel Fabrication of a highly b-oriented MFI-type zeolite film-modified electrode with molecular sieving properties by Langmuir–Blodgett method
Nächster Artikel Characterization of 3D woven reinforcements for liquid composite molding processes

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Metadaten
Titel
Density functional theory study of diffusion of lithium in Li–Sn alloys
verfasst von
Jianjian Shi
Zhiguo Wang
Y. Q. Fu
Publikationsdatum
01.03.2016
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 6/2016
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-015-9639-z

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