DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kang K (Kang, Kisuk) | ko |
dc.contributor.author | Ceder G (Ceder, Gerbrand) | ko |
dc.date.accessioned | 2010-11-25T05:16:23Z | - |
dc.date.available | 2010-11-25T05:16:23Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2006-09 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.74, no.9 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/20376 | - |
dc.description.abstract | The diffusion constant of Li in electrode materials is a key aspect of the rate capability of rechargeable Li batteries. The factors that affect Li mobility in layered lithium transition metal oxides are systematically studied in this paper by means of first-principles calculations. In close packed oxides octahedral ions diffuse by migrating through intermediate tetrahedral sites. Our results indicate that the activation barrier for Li hopping is strongly affected by the size of the tetrahedral site and the electrostatic interaction between Li+ in that site and the cation in the octahedron that shares a face with it. The size of the tetrahedral site is determined by the c-lattice parameter which has a remarkably strong effect on the activation barrier for Li migration. The effect of other factors such as cation mixing and doping with nontransition metal ions can be interpreted quantitatively in terms of the size and electrostatic effect. A general strategy to design high rate electrode materials is discussed. | - |
dc.description.sponsorship | This work was supported by the MRSEC Program of the National Science Foundation under Grant No. DMR 02-13282, by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098, Subcontracts No. 6517748 and No. 6517749 with the Lawrence Berkeley National Laboratory. Additional computer resources were provided by the National Partnership for Advanced Computing Infrastructure (NPACI). | en |
dc.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | AMERICAN PHYSICAL SOC | - |
dc.subject | STRUCTURE REFINEMENT | - |
dc.subject | ION BATTERIES | - |
dc.subject | AB-INITIO | - |
dc.subject | DIFFUSION | - |
dc.subject | CATHODE | - |
dc.subject | LIXCOO2 | - |
dc.subject | LICOO2 | - |
dc.subject | ELECTRODES | - |
dc.subject | STABILITY | - |
dc.subject | INSERTION | - |
dc.title | Factors that affect Li mobility in layered lithium transition metal oxides | - |
dc.type | Article | - |
dc.identifier.wosid | 000240871700018 | - |
dc.identifier.scopusid | 2-s2.0-33749000896 | - |
dc.type.rims | ART | - |
dc.citation.volume | 74 | - |
dc.citation.issue | 9 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.74.094105 | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kang K (Kang, Kisuk) | - |
dc.contributor.nonIdAuthor | Ceder G (Ceder, Gerbrand) | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | STRUCTURE REFINEMENT | - |
dc.subject.keywordPlus | ION BATTERIES | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | DIFFUSION | - |
dc.subject.keywordPlus | CATHODE | - |
dc.subject.keywordPlus | LIXCOO2 | - |
dc.subject.keywordPlus | LICOO2 | - |
dc.subject.keywordPlus | ELECTRODES | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | INSERTION | - |
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