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Stepwise Dopant Selection Process for High-Nickel Layered Oxide Cathodes
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Do-Hoon | - |
dc.contributor.author | Song, Jun-Hyuk | - |
dc.contributor.author | Jung, Chul-Ho | - |
dc.contributor.author | Eum, Donggun | - |
dc.contributor.author | Kim, Byunghoon | - |
dc.contributor.author | Hong, Seong-Hyeon | - |
dc.contributor.author | Kang, Kisuk | - |
dc.date.accessioned | 2023-03-20T08:42:21Z | - |
dc.date.available | 2023-03-20T08:42:21Z | - |
dc.date.created | 2022-04-26 | - |
dc.date.issued | 2022-05 | - |
dc.identifier.citation | Advanced Energy Materials, Vol.12 No.18, p. 2200136 | - |
dc.identifier.issn | 1614-6832 | - |
dc.identifier.uri | https://hdl.handle.net/10371/189450 | - |
dc.description.abstract | © 2022 Wiley-VCH GmbHNCM-based lithium layered oxides (LiNi1–x–yCoxMnyO2) have become prevalent cathode materials in state-of-the-art lithium-ion batteries. Higher energy densities can be achieved in these materials by systematically increasing the nickel content; however, this approach commonly results in inferior cycle stability. The poor cycle retention of high-nickel NCM cathodes is generally attributed to chemo-mechanical degradation (e.g., intergranular microcracks), vulnerability to oxygen-gas evolution, and the accompanying rocksalt phase formation via cation mixing. Herein, the feasibility of doping strategies is examined to mitigate these issues and effective dopants for high-nickel NCM cathodes are theoretically identified through a stepwise pruning process based on density functional theory calculations. Specifically, a sequential three-step screening process is conducted for 38 potential dopants to scrutinize their effectiveness in mitigating chemo-mechanical lattice stress, oxygen evolution, and cation mixing at charged states. Using this process, promising dopant species are selected rationally and a silicon-doped LiNi0.92Co0.04Mn0.04O2 cathode is synthesized, which exhibits suppressed lattice expansion/contraction, fewer intergranular microcracks, and reduced rocksalt formation on the surface compared with its undoped counterpart, leading to superior electrochemical performance. Moreover, a comprehensive map of dopants regarding their potential applicability is presented, providing rational guidance for an effective doping strategy for high-nickel NCM cathodes. | - |
dc.language | 영어 | - |
dc.publisher | Wiley-VCH Verlag | - |
dc.title | Stepwise Dopant Selection Process for High-Nickel Layered Oxide Cathodes | - |
dc.type | Article | - |
dc.citation.journaltitle | Advanced Energy Materials | - |
dc.identifier.wosid | 000772012600001 | - |
dc.identifier.scopusid | 2-s2.0-85126844374 | - |
dc.citation.number | 18 | - |
dc.citation.startpage | 2200136 | - |
dc.citation.volume | 12 | - |
dc.description.isOpenAccess | N | - |
dc.contributor.affiliatedAuthor | Hong, Seong-Hyeon | - |
dc.contributor.affiliatedAuthor | Kang, Kisuk | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.subject.keywordPlus | LITHIUM-ION BATTERIES | - |
dc.subject.keywordPlus | NI-RICH | - |
dc.subject.keywordPlus | ENERGY-DENSITY | - |
dc.subject.keywordPlus | STRUCTURAL-CHANGES | - |
dc.subject.keywordPlus | DOPING STRATEGY | - |
dc.subject.keywordPlus | LINIO2 CATHODE | - |
dc.subject.keywordPlus | HIGH-VOLTAGE | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | PERFORMANCE | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordAuthor | chemo-mechanical degradation | - |
dc.subject.keywordAuthor | density functional theory | - |
dc.subject.keywordAuthor | doping | - |
dc.subject.keywordAuthor | high-nickel NCM cathodes | - |
dc.subject.keywordAuthor | layered cathode materials | - |
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