Elucidating the unintentional p-type nature of spinel Co3O4: A defect study using ab-initio calculation
DC Field | Value | Language |
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dc.contributor.author | Cho, Sung Beom | - |
dc.contributor.author | Sim, Eun Seob | - |
dc.contributor.author | Chung, Yong-Chae | - |
dc.date.accessioned | 2021-08-02T13:53:02Z | - |
dc.date.available | 2021-08-02T13:53:02Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2018-02 | - |
dc.identifier.issn | 0955-2219 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/17791 | - |
dc.description.abstract | Co3O4 is one of the most widely used materials in energy and environmental field due to its unintentional p-type nature, which depends on the preparation conditions. In this study, we investigated the origin of the unintentional p-type conductivity of Co3O4 by calculating all possible intrinsic point defects. We found that the octahedral cobalt vacancy and tetrahedral cobalt vacancy are the sources of unintentional p-type doping. Using charge balance theory, we analyzed the effect of preparation condition on intrinsic defect-induced doping. In most of preparation condition, the formation of these cobalt vacancies plays a dominant role and the spontaneous formation of p-type doping is unavoidable. However, if there is ample oxygen and the temperature is low during the preparation, the unintentional p-type doping can be avoided. This theoretical work on defects provides a crucial clue to optimize Co3O4 for various electrochemical applications. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER SCI LTD | - |
dc.title | Elucidating the unintentional p-type nature of spinel Co3O4: A defect study using ab-initio calculation | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Chung, Yong-Chae | - |
dc.identifier.doi | 10.1016/j.jeurceramsoc.2017.09.039 | - |
dc.identifier.scopusid | 2-s2.0-85030453399 | - |
dc.identifier.wosid | 000418211000030 | - |
dc.identifier.bibliographicCitation | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, v.38, no.2, pp.629 - 635 | - |
dc.relation.isPartOf | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY | - |
dc.citation.title | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY | - |
dc.citation.volume | 38 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 629 | - |
dc.citation.endPage | 635 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Ceramics | - |
dc.subject.keywordPlus | COBALT OXIDE | - |
dc.subject.keywordPlus | ELECTRICAL-CONDUCTIVITY | - |
dc.subject.keywordPlus | TOTAL-ENERGY | - |
dc.subject.keywordPlus | THIN-FILMS | - |
dc.subject.keywordPlus | PERFORMANCE | - |
dc.subject.keywordPlus | LITHIUM | - |
dc.subject.keywordPlus | BIOMINERALIZATION | - |
dc.subject.keywordPlus | MICROSTRUCTURE | - |
dc.subject.keywordPlus | NANOPARTICLES | - |
dc.subject.keywordPlus | COMBUSTION | - |
dc.subject.keywordAuthor | Intrinsic doping | - |
dc.subject.keywordAuthor | Spinel oxide | - |
dc.subject.keywordAuthor | Ab-initio thermodynamics | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0955221917306532?via%3Dihub | - |
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