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Article: Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations

TitleEffects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations
Authors
KeywordsAnatase semi-conductor
Concentration of oxygen vacancy
Conductivity
First principles calculation
Issue Date2008
PublisherScience Press (科學出版社). The Journal's web site is located at http://g203.iphy.ac.cn/wulixb/
Citation
Acta physica Sinica = 物理學報, 2008, v. 57 n. 1, p. 428-442 How to Cite?
AbstractBased on the density of stales calculation of the concentration of oxygen vacancy in anatase semi-conductor, the model of anatase with different sizes and proper concentrations of oxygen vacancy were studied under the same condition. It was found that the anatase with relatively low oxygen vacancy shows better electric conducting performance by comparison of the relative average number of electrons in the conduction band, mobility and conductivity. So we arrive at the conclusion that the lower the concentration of oxygen the better anatase can be prepared with heavy doping, and under the conditions of low temperature and heavy oxygen vacancy, the conductivity of anatase semi-conductor is closely related to the concentration of oxygen vacancies, average number of electrons in the conduction band and the conductivity caused by scattering of oxygen vacancies.
Persistent Identifierhttp://hdl.handle.net/10722/242564
ISSN
2015 Impact Factor: 0.677
2015 SCImago Journal Rankings: 0.156

 

DC FieldValueLanguage
dc.contributor.authorHou, QY-
dc.contributor.authorZhang, Y-
dc.contributor.authorChen, Y-
dc.contributor.authorShang, JX-
dc.contributor.authorGu, JH-
dc.date.accessioned2017-07-28T04:42:17Z-
dc.date.available2017-07-28T04:42:17Z-
dc.date.issued2008-
dc.identifier.citationActa physica Sinica = 物理學報, 2008, v. 57 n. 1, p. 428-442-
dc.identifier.issn1000-3290-
dc.identifier.urihttp://hdl.handle.net/10722/242564-
dc.description.abstractBased on the density of stales calculation of the concentration of oxygen vacancy in anatase semi-conductor, the model of anatase with different sizes and proper concentrations of oxygen vacancy were studied under the same condition. It was found that the anatase with relatively low oxygen vacancy shows better electric conducting performance by comparison of the relative average number of electrons in the conduction band, mobility and conductivity. So we arrive at the conclusion that the lower the concentration of oxygen the better anatase can be prepared with heavy doping, and under the conditions of low temperature and heavy oxygen vacancy, the conductivity of anatase semi-conductor is closely related to the concentration of oxygen vacancies, average number of electrons in the conduction band and the conductivity caused by scattering of oxygen vacancies.-
dc.languageeng-
dc.publisherScience Press (科學出版社). The Journal's web site is located at http://g203.iphy.ac.cn/wulixb/-
dc.relation.ispartofActa physica Sinica = 物理學報-
dc.subjectAnatase semi-conductor-
dc.subjectConcentration of oxygen vacancy-
dc.subjectConductivity-
dc.subjectFirst principles calculation-
dc.titleEffects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.scopuseid_2-s2.0-40049101855-
dc.identifier.volume57-
dc.identifier.issue1-
dc.identifier.spage428-
dc.identifier.epage442-
dc.publisher.placeBeijing (北京)-

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