DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kang, Kisuk | ko |
dc.contributor.author | Morgan, Dane | ko |
dc.contributor.author | Ceder, Gerbrand | ko |
dc.date.accessioned | 2009-06-15T07:38:02Z | - |
dc.date.available | 2009-06-15T07:38:02Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2009-01 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.79, no.1 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/9425 | - |
dc.description.abstract | First principles computations have been used to study Li mobility in the orthorhombic Li2NiO2 structure with the Immm space group (I-Li2NiO2). Understanding Li mobility in I-Li2NiO2 structure other than the conventional layered structure helps extend our understanding of Li transport in different oxide structures. Our results indicate that I-Li2NiO2 is a reasonably good lithium ionic conductor with two-dimensional diffusion when the structure is maintained upon lithiation or delithaion. It is predicted that in the orthorhombic cell the activation barriers along the b axis and diagonal direction between a and b axes are fairly low, ensuring the facile lithium diffusion along those directions, while migration along the a axis is unlikely given the very high activation barrier (similar to 2 eV). | - |
dc.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | AMER PHYSICAL SOC | - |
dc.subject | LITHIUM-ION BATTERIES | - |
dc.subject | ELECTROCHEMICAL PROPERTIES | - |
dc.subject | CATHODE MATERIALS | - |
dc.subject | INSERTION MATERIAL | - |
dc.subject | PHASE-STABILITY | - |
dc.subject | METALS | - |
dc.title | First principles study of Li diffusion in I-Li2NiO2 structure | - |
dc.type | Article | - |
dc.identifier.wosid | 000262977900048 | - |
dc.identifier.scopusid | 2-s2.0-60949098682 | - |
dc.type.rims | ART | - |
dc.citation.volume | 79 | - |
dc.citation.issue | 1 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.79.014305 | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kang, Kisuk | - |
dc.contributor.nonIdAuthor | Morgan, Dane | - |
dc.contributor.nonIdAuthor | Ceder, Gerbrand | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | ab initio calculations | - |
dc.subject.keywordAuthor | crystal orientation | - |
dc.subject.keywordAuthor | inhomogeneous media | - |
dc.subject.keywordAuthor | ionic conductivity | - |
dc.subject.keywordAuthor | lithium compounds | - |
dc.subject.keywordAuthor | self-diffusion | - |
dc.subject.keywordPlus | LITHIUM-ION BATTERIES | - |
dc.subject.keywordPlus | ELECTROCHEMICAL PROPERTIES | - |
dc.subject.keywordPlus | CATHODE MATERIALS | - |
dc.subject.keywordPlus | INSERTION MATERIAL | - |
dc.subject.keywordPlus | PHASE-STABILITY | - |
dc.subject.keywordPlus | METALS | - |
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