Regulating Pseudo-Jahn-Teller Effect and Superstructure in Layered Cathode Materials for Reversible Alkali-Ion Intercalation br
DC Field | Value | Language |
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dc.contributor.author | Zhang, Jiliang | - |
dc.contributor.author | Kim, Jae-Bum | - |
dc.contributor.author | Zhang, Jing | - |
dc.contributor.author | Lee, Gi-Hyeok | - |
dc.contributor.author | Chen, Mingzhe | - |
dc.contributor.author | Lau, Vincent Wing-Hei | - |
dc.contributor.author | Zhang, Kai | - |
dc.contributor.author | Lee, Suwon | - |
dc.contributor.author | Chen, Chi-Liang | - |
dc.contributor.author | Jeon, Tae-Yeol | - |
dc.contributor.author | Kwon, Young-Wan | - |
dc.contributor.author | Kang, Yong-Mook | - |
dc.date.accessioned | 2022-06-09T13:40:40Z | - |
dc.date.available | 2022-06-09T13:40:40Z | - |
dc.date.created | 2022-06-09 | - |
dc.date.issued | 2022-05-04 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/141737 | - |
dc.description.abstract | The Jahn-Teller effect (JTE) is one of the most important determinators of how much stress layered cathodematerials undergo during charge and discharge; however, manyreports have shown that traces of superstructure exist in pristinelayered materials and irreversible phase transitions occur even aftereliminating the JTE. A careful consideration of the energy ofcationic distortion using a Taylor expansion indicated that second-order JTE (pseudo-JTE) is more widespread than the afore-mentioned JTE because of the various bonding states that occurbetween bonding and antibonding molecular orbitals in transition-metal octahedra. As a model case, a P2-type Mn-rich cathode(Na3/4MnO2) was investigated in detail. MnO6octahedra are wellknown to undergo either elongation or contraction in a specificdirection due to JTE. Here, the substitution of Li for Mn (Na3/4(Li1/4Mn3/4)O2) helped to oxidize Mn3+to Mn4+suppressing JTE;however, the MnO6octahedra remained asymmetric with a clear trace of the superstructure. With various advanced analyses, wedisclose the pseudo-JTE as a general reason for the asymmetric distortions of the MnO6octahedra. These distortions lead to thesignificant electrochemical degradation of Na3/4Li1/4Mn3/4O2. The suppression of the pseudo-JTE modulates phase transitionbehaviors during Na intercalation/deintercalation and thereby improves all of the electrochemical properties. The insight obtainedby coupling a theoretical background for the pseudo-JTE with verified layered cathode material lattice changes implies that manyprevious approaches can be rationalized by regulating pseudo-JTE. This suggests that the pseudo-JTE should be thought moreimportant than the well-known JTE for layered cathode materials | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | SODIUM | - |
dc.subject | OXIDES | - |
dc.subject | TRANSITION | - |
dc.subject | STABILITY | - |
dc.subject | BATTERIES | - |
dc.subject | P2-TYPE | - |
dc.subject | PHASE | - |
dc.subject | STATE | - |
dc.subject | NI | - |
dc.title | Regulating Pseudo-Jahn-Teller Effect and Superstructure in Layered Cathode Materials for Reversible Alkali-Ion Intercalation br | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kwon, Young-Wan | - |
dc.identifier.doi | 10.1021/jacs.2c02875 | - |
dc.identifier.scopusid | 2-s2.0-85129555948 | - |
dc.identifier.wosid | 000798986400048 | - |
dc.identifier.bibliographicCitation | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.144, no.17, pp.7929 - 7938 | - |
dc.relation.isPartOf | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
dc.citation.title | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
dc.citation.volume | 144 | - |
dc.citation.number | 17 | - |
dc.citation.startPage | 7929 | - |
dc.citation.endPage | 7938 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.subject.keywordPlus | SODIUM | - |
dc.subject.keywordPlus | OXIDES | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | BATTERIES | - |
dc.subject.keywordPlus | P2-TYPE | - |
dc.subject.keywordPlus | PHASE | - |
dc.subject.keywordPlus | STATE | - |
dc.subject.keywordPlus | NI | - |
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