A theoretical and experimental study of the lithiation of $η'$-Cu$_6$Sn$_5$ in a lithium-ion battery

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dc.creatorSharma, S.
dc.creatorFransson, L.
dc.creatorSjöstedt, E.
dc.creatorNordström, L.
dc.creatorJohansson, B.
dc.creatorEdström, K.
dc.date2003-03-05
dc.date.accessioned2026-07-07T02:50:01Z
dc.date.available2026-07-07T02:50:01Z
dc.descriptionIn this work, the mechanism of Li insertion in $η'$-Cu$_6$Sn$_5$ to form Li$_2$CuSn is discussed in detail, based on both theoretical calculations and experimental results. The mechanism is investigated by means of first principles calculations, with the full potential linearized augmented plane wave method, in combination with {\it in situ} X-ray diffraction experiments. The $η'$-Cu$_6$Sn$_5$ structure, as well as its lithiated products, have been optimized and the electronic charge density calculated in order to study the change in bond character on lithiation. The average insertion voltage of the $η'$-Cu$_6$Sn$_5$-Li$_2$CuSn transformation has been calculated to be 0.378V in good agreement with the experimental value.
dc.description11 pages and 6 figures accepted for publication in J. Electr. Chem Soc. 2003
dc.identifierhttps://arxiv.org/abs/cond-mat/0303091
dc.identifierhttp://arxiv.org/abs/cond-mat/0303091
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/20977
dc.subjectMaterials Science
dc.titleA theoretical and experimental study of the lithiation of $η'$-Cu$_6$Sn$_5$ in a lithium-ion battery
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