Role of O and Se defects in the thermoelectric properties of bismuth oxide selenide
DC Field | Value | Language |
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dc.contributor.author | Quang Van Tran | - |
dc.contributor.author | Kim, Miyoung | - |
dc.date.available | 2021-02-22T11:23:56Z | - |
dc.date.issued | 2016-11 | - |
dc.identifier.issn | 0021-8979 | - |
dc.identifier.issn | 1089-7550 | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/9368 | - |
dc.description.abstract | Bismuth oxygen selenide, Bi2O2Se, is a promising thermoelectric material because of its reduced thermal conductivity. In this study, we perform the first-principles calculation and utilize the solution of Boltzmann transport equation in a constant relaxation-time approximation to compute the electronic and thermoelectric properties of Bi2O2Se with O and Se defects. Oxygen vacancies trap bands located inside the band gap of Bi2O2Se, and the compound becomes a conductor. These bands lead to drastic reduction in the Seebeck coefficient. When vacancies are filled by selenide atoms (selenide point defect), the materials return to be a semiconductor and the Seebeck coefficient increases. The increase of S is also found in the system with defects formed by the substitution of oxygen atoms into selenide sites (oxygen point defect) in the pristine compound. The power factor significantly increases during p-type doping compared with that during n-type doping for the selenide point defect. However, differences in the two doping cases are less distinguished for the oxygen point defect. Hence, the selenide point defect, Bi2O2-delta Se1-delta with p-type doping, is an effective way to increase the power factor and eventually the thermoelectric efficiency of Bi2O2Se. Published by AIP Publishing. | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | AMER INST PHYSICS | - |
dc.title | Role of O and Se defects in the thermoelectric properties of bismuth oxide selenide | - |
dc.type | Article | - |
dc.publisher.location | 미국 | - |
dc.identifier.doi | 10.1063/1.4967989 | - |
dc.identifier.scopusid | 2-s2.0-84999039998 | - |
dc.identifier.wosid | 000388958200028 | - |
dc.identifier.bibliographicCitation | JOURNAL OF APPLIED PHYSICS, v.120, no.19 | - |
dc.citation.title | JOURNAL OF APPLIED PHYSICS | - |
dc.citation.volume | 120 | - |
dc.citation.number | 19 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.subject.keywordPlus | PLANE-WAVE METHOD | - |
dc.identifier.url | https://aip.scitation.org/doi/10.1063/1.4967989 | - |
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