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Article: Lithium ion transport in a model of amorphous polyethylene oxide

TitleLithium ion transport in a model of amorphous polyethylene oxide
Authors
KeywordsBatteries
Lithium
Polyethylene Oxide
Transport
Issue Date1996
PublisherSpringer Verlag Dordrecht. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=0928-1045
Citation
Journal of Computer-Aided Materials Design, 1996, v. 3 n. 1-3, p. 385-402 How to Cite?
AbstractWe have made a molecular dynamics study of transport of a single lithium ion in a previously reported model of amorphous polyethylene oxide. New ab initio calculations of the interaction of the lithium ion with 1,2-dimethoxyethane and with dimethyl ether are reported which are used to determine force fields for the simulation. We report preliminary calculations of solvation energies and hopping barriers and a calculation of the ionic conductivity which is independent of any assumptions about the mechanism of ion transport. We also report some details of a study of transport of the trapped lithium ion on intermediate time and length scales. © 1996 ESCOM Science Publishers B.V.
Persistent Identifierhttp://hdl.handle.net/10722/90949
ISSN
2009 Impact Factor: 1.302
2010 SCImago Journal Rankings: 0.812
References

 

DC FieldValueLanguage
dc.contributor.authorBoinske, PTen_HK
dc.contributor.authorCurtiss, Len_HK
dc.contributor.authorHalley, JWen_HK
dc.contributor.authorLin, Ben_HK
dc.contributor.authorSutjianto, Aen_HK
dc.date.accessioned2010-09-17T10:10:48Z-
dc.date.available2010-09-17T10:10:48Z-
dc.date.issued1996en_HK
dc.identifier.citationJournal of Computer-Aided Materials Design, 1996, v. 3 n. 1-3, p. 385-402en_HK
dc.identifier.issn0928-1045en_HK
dc.identifier.urihttp://hdl.handle.net/10722/90949-
dc.description.abstractWe have made a molecular dynamics study of transport of a single lithium ion in a previously reported model of amorphous polyethylene oxide. New ab initio calculations of the interaction of the lithium ion with 1,2-dimethoxyethane and with dimethyl ether are reported which are used to determine force fields for the simulation. We report preliminary calculations of solvation energies and hopping barriers and a calculation of the ionic conductivity which is independent of any assumptions about the mechanism of ion transport. We also report some details of a study of transport of the trapped lithium ion on intermediate time and length scales. © 1996 ESCOM Science Publishers B.V.en_HK
dc.languageengen_HK
dc.publisherSpringer Verlag Dordrecht. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=0928-1045en_HK
dc.relation.ispartofJournal of Computer-Aided Materials Designen_HK
dc.subjectBatteriesen_HK
dc.subjectLithiumen_HK
dc.subjectPolyethylene Oxideen_HK
dc.subjectTransporten_HK
dc.titleLithium ion transport in a model of amorphous polyethylene oxideen_HK
dc.typeArticleen_HK
dc.identifier.emailLin, B:blin@hku.hken_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.scopuseid_2-s2.0-0030201988en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0030201988&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume3en_HK
dc.identifier.issue1-3en_HK
dc.identifier.spage385en_HK
dc.identifier.epage402en_HK

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