DC Field | Value | Language |
---|---|---|
dc.contributor.author | Joonhee Kang | - |
dc.contributor.author | Habin Chung | - |
dc.contributor.author | Chilhoon Doh | - |
dc.contributor.author | Kang, B | - |
dc.contributor.author | Byungchan Han | - |
dc.date.accessioned | 2016-04-01T07:58:58Z | - |
dc.date.available | 2016-04-01T07:58:58Z | - |
dc.date.created | 2015-06-12 | - |
dc.date.issued | 2015-10-20 | - |
dc.identifier.issn | 0378-7753 | - |
dc.identifier.other | 2015-OAK-0000032683 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/27087 | - |
dc.description.abstract | Understanding of the fundamental mechanisms causing significant enhancement of Li-ionic conductivity by Al3+ doping to a solid LiGe2(PO4)(3) (LGP) electrolyte is pursued using first principles density functional theory (DFT) calculations combined with experimental measurements. Our results indicate that partial substitution Al3+ for Ge4+ in LiGe2(PO4)(3) (LGP) with aliovalent (Li1+xAlxGe2-x(PO4)(3), LAGP) improves the Li-ionic conductivity about four-orders of the magnitude. To unveil the atomic origin we calculate plausible diffusion paths of Li in LGP and LAGP materials using DFT calculations and a nudged elastic band method, and discover that LAGP had additional transport paths for Li with activation barriers as low as only 34% of the LGP. Notably, these new atomic channels manifest subtle electrostatic environments facilitating cooperative motions of at least two Li atoms. Ab-initio molecular dynamics predict Li-ionic conductivity for the LAGP system, which is amazingly agreed experimental measurement on in-house made samples. Consequently, we suggest that the excess amounts of Li caused by the aliovalent Al3+ doping to LGP lead to not only enhancing Li concentration but also opening new conducting paths with substantially decreases activation energies and thus high ionic conductivity of LAGP solid-state electrolyte. (C) 2015 Elsevier B.V. All rights reserved. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | ELSEVIER | - |
dc.relation.isPartOf | Journal of Power Sources | - |
dc.title | Integrated study of first principles calculations and experimental measurements for Li-ionic conductivity in Al-doped solid-state LiGe2(PO4)3 electrolyte | - |
dc.type | Article | - |
dc.contributor.college | 신소재공학과 | - |
dc.identifier.doi | 10.1016/J.JPOWSOUR.2015.05.060 | - |
dc.author.google | Joonhee Kang | - |
dc.author.google | Habin Chung | - |
dc.author.google | Chilhoon Doh | - |
dc.author.google | Byoungwoo Kang | - |
dc.author.google | Byungchan Han | - |
dc.relation.volume | 293 | - |
dc.relation.startpage | 11 | - |
dc.relation.lastpage | 16 | - |
dc.contributor.id | 10976747 | - |
dc.relation.journal | Journal of Power Sources | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | Journal of Power Sources, v.293, pp.11 - 16 | - |
dc.identifier.wosid | 000358809700002 | - |
dc.date.tcdate | 2019-02-01 | - |
dc.citation.endPage | 16 | - |
dc.citation.startPage | 11 | - |
dc.citation.title | Journal of Power Sources | - |
dc.citation.volume | 293 | - |
dc.contributor.affiliatedAuthor | Kang, B | - |
dc.identifier.scopusid | 2-s2.0-84929628215 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 26 | - |
dc.description.scptc | 18 | * |
dc.date.scptcdate | 2018-05-121 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | ELECTROCHEMICAL STABILITY | - |
dc.subject.keywordPlus | GLASS-CERAMICS | - |
dc.subject.keywordPlus | LITHIUM | - |
dc.subject.keywordPlus | ENERGY | - |
dc.subject.keywordPlus | GE | - |
dc.subject.keywordPlus | CONDUCTORS | - |
dc.subject.keywordPlus | CATHODE | - |
dc.subject.keywordPlus | SN | - |
dc.subject.keywordPlus | TI | - |
dc.subject.keywordAuthor | Li-ion batteries | - |
dc.subject.keywordAuthor | First principles | - |
dc.subject.keywordAuthor | Solid-state electrolyte | - |
dc.subject.keywordAuthor | Ionic conductivity | - |
dc.subject.keywordAuthor | Diffusion mechanism | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Electrochemistry | - |
dc.relation.journalWebOfScienceCategory | Energy & Fuels | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Electrochemistry | - |
dc.relation.journalResearchArea | Energy & Fuels | - |
dc.relation.journalResearchArea | Materials Science | - |
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