Isovalent multi-component doping strategy for stabilizing cubic-Li7La3Zr2O12 with excellent Li mobility
DC Field | Value | Language |
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dc.contributor.author | Lee, Han Uk | - |
dc.contributor.author | Han, Seungmin | - |
dc.contributor.author | Lee, Dong Geon | - |
dc.contributor.author | Ko, Hyunseok | - |
dc.contributor.author | Lee, Juhyun | - |
dc.contributor.author | Im, Won Bin | - |
dc.contributor.author | Song, Taeseup | - |
dc.contributor.author | Choi, Junghyun | - |
dc.contributor.author | Cho, Sung Beom | - |
dc.date.accessioned | 2024-07-08T05:00:39Z | - |
dc.date.available | 2024-07-08T05:00:39Z | - |
dc.date.issued | 2023-09 | - |
dc.identifier.issn | 1385-8947 | - |
dc.identifier.issn | 1873-3212 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/91860 | - |
dc.description.abstract | Stabilizing the cubic phase of Li7La3Zr2O12 (LLZO) through doping has been a challenging issue, as conventional aliovalent dopants often decrease Li ion mobility and induce unwanted phase transformations. In this study, a novel multi-component doping strategy is proposed that stabilizes the cubic phase of LLZO while maintaining high Li ion mobility. The practical isovalent ions and their combinations are screened using density-functional theory (DFT) calculations and ab-initio molecular dynamics (AIMD) simulations, identifying the most stable multi-component alloy configuration that can stabilize the robust cubic phase of LLZO. Our results demonstrate that the proposed Li7La3(Zr, Hf, Ce, Ru)2O12 composition has a stable cubic phase at low temperatures, which we validated through experimental synthesis. Our proposed doping strategy has the potential to advance the development of high-performance all-solid-state batteries. | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | ELSEVIER SCIENCE SA | - |
dc.title | Isovalent multi-component doping strategy for stabilizing cubic-Li7La3Zr2O12 with excellent Li mobility | - |
dc.type | Article | - |
dc.identifier.wosid | 001039208000001 | - |
dc.identifier.doi | 10.1016/j.cej.2023.144552 | - |
dc.identifier.bibliographicCitation | CHEMICAL ENGINEERING JOURNAL, v.471 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.scopusid | 2-s2.0-85165247022 | - |
dc.citation.title | CHEMICAL ENGINEERING JOURNAL | - |
dc.citation.volume | 471 | - |
dc.type.docType | Article | - |
dc.publisher.location | 스위스 | - |
dc.subject.keywordAuthor | All-solid-state battery | - |
dc.subject.keywordAuthor | Solid-state electrolyte | - |
dc.subject.keywordAuthor | Multi-component alloy | - |
dc.subject.keywordAuthor | Reduction sintering temperature | - |
dc.subject.keywordPlus | SOLID-ELECTROLYTE | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE | - |
dc.subject.keywordPlus | PHASE-TRANSITION | - |
dc.subject.keywordPlus | GARNET | - |
dc.subject.keywordPlus | LI7LA3ZR2O12 | - |
dc.relation.journalResearchArea | Engineering | - |
dc.relation.journalWebOfScienceCategory | Engineering, Environmental | - |
dc.relation.journalWebOfScienceCategory | Engineering, Chemical | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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