Interfacial Reactions in the Li/Si diffusion couples: Origin of Anisotropic Lithiation of Crystalline Si in Li-Si batteries
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Choi, Yong-Seok | - |
dc.contributor.author | Park, Jun-Hyoung | - |
dc.contributor.author | Ahn, Jae-Pyoung | - |
dc.contributor.author | Lee, Jae-Chul | - |
dc.date.accessioned | 2021-09-03T00:02:29Z | - |
dc.date.available | 2021-09-03T00:02:29Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2017-10-25 | - |
dc.identifier.issn | 2045-2322 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/81865 | - |
dc.description.abstract | As opposed to the common understanding that diffusion into a cubic-structured single crystal is independent of its crystalline orientation, the diffusion of Li to crystalline Si (c-Si) is anisotropic, which acts as the major cause for the fracture of Si anodes in Li-ion batteries. Here, by conducting comprehensive/multi-scale simulation studies based on molecular dynamics and density functional theory, we elucidate how and why Li diffusion in c-Si is anisotropic. We found that Li ions diffuse to c-Si by following a particular atomic-scale space corresponding to the lowest value of the valence orbital in c-Si, causing Li ions to take a tortuous diffusion pathway. The degree of the tortuosity of the pathway differs depending on the crystallographic orientation of Si, and it acts as the major cause for anisotropic lithiation. We also develop a structural parameter that can quantitatively evaluate the orientation dependency of the lithiation of c-Si. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | NATURE PUBLISHING GROUP | - |
dc.subject | MOLECULAR-DYNAMICS | - |
dc.subject | SILICON NANOWIRES | - |
dc.subject | ION | - |
dc.subject | ENERGY | - |
dc.subject | PSEUDOPOTENTIALS | - |
dc.subject | NANOPILLARS | - |
dc.subject | INSERTION | - |
dc.subject | FRACTURE | - |
dc.subject | MODEL | - |
dc.title | Interfacial Reactions in the Li/Si diffusion couples: Origin of Anisotropic Lithiation of Crystalline Si in Li-Si batteries | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Lee, Jae-Chul | - |
dc.identifier.doi | 10.1038/s41598-017-14374-0 | - |
dc.identifier.scopusid | 2-s2.0-85032274343 | - |
dc.identifier.wosid | 000413700200067 | - |
dc.identifier.bibliographicCitation | SCIENTIFIC REPORTS, v.7 | - |
dc.relation.isPartOf | SCIENTIFIC REPORTS | - |
dc.citation.title | SCIENTIFIC REPORTS | - |
dc.citation.volume | 7 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalWebOfScienceCategory | Multidisciplinary Sciences | - |
dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
dc.subject.keywordPlus | SILICON NANOWIRES | - |
dc.subject.keywordPlus | ION | - |
dc.subject.keywordPlus | ENERGY | - |
dc.subject.keywordPlus | PSEUDOPOTENTIALS | - |
dc.subject.keywordPlus | NANOPILLARS | - |
dc.subject.keywordPlus | INSERTION | - |
dc.subject.keywordPlus | FRACTURE | - |
dc.subject.keywordPlus | MODEL | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
(02841) 서울특별시 성북구 안암로 14502-3290-1114
COPYRIGHT © 2021 Korea University. All Rights Reserved.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.