Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 정용재 | - |
dc.date.accessioned | 2019-12-05T15:48:37Z | - |
dc.date.available | 2019-12-05T15:48:37Z | - |
dc.date.issued | 2018-02 | - |
dc.identifier.citation | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, v. 38, no. 2, page. 629-635 | en_US |
dc.identifier.issn | 0955-2219 | - |
dc.identifier.issn | 1873-619X | - |
dc.identifier.uri | https://www.sciencedirect.com/science/article/abs/pii/S0955221917306532?via%3Dihub | - |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/117610 | - |
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. | en_US |
dc.description.sponsorship | This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (2016R1A2B4010674). | en_US |
dc.language.iso | en_US | en_US |
dc.publisher | ELSEVIER SCI LTD | en_US |
dc.subject | Intrinsic doping | en_US |
dc.subject | Spinel oxide | en_US |
dc.subject | Ab-initio thermodynamics | en_US |
dc.title | Elucidating the unintentional p-type nature of spinel Co3O4: A defect study using ab-initio calculation | en_US |
dc.type | Article | en_US |
dc.relation.no | 2 | - |
dc.relation.volume | 38 | - |
dc.identifier.doi | 10.1016/j.jeurceramsoc.2017.09.039 | - |
dc.relation.page | 629-635 | - |
dc.relation.journal | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY | - |
dc.contributor.googleauthor | Cho, Sung Beom | - |
dc.contributor.googleauthor | Sim, Eun Seob | - |
dc.contributor.googleauthor | Chung, Yong-Chae | - |
dc.relation.code | 2018001275 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF ENGINEERING[S] | - |
dc.sector.department | DIVISION OF MATERIALS SCIENCE AND ENGINEERING | - |
dc.identifier.pid | yongchae | - |
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