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Article: Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations
Title | Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations |
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Authors | |
Keywords | Anatase semi-conductor Concentration of oxygen vacancy Conductivity First principles calculation |
Issue Date | 2008 |
Publisher | Science 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? |
Abstract | Based 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 Identifier | http://hdl.handle.net/10722/242564 |
ISSN | 2023 Impact Factor: 0.8 2023 SCImago Journal Rankings: 0.214 |
DC Field | Value | Language |
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dc.contributor.author | Hou, QY | - |
dc.contributor.author | Zhang, Y | - |
dc.contributor.author | Chen, Y | - |
dc.contributor.author | Shang, JX | - |
dc.contributor.author | Gu, JH | - |
dc.date.accessioned | 2017-07-28T04:42:17Z | - |
dc.date.available | 2017-07-28T04:42:17Z | - |
dc.date.issued | 2008 | - |
dc.identifier.citation | Acta physica Sinica = 物理學報, 2008, v. 57 n. 1, p. 428-442 | - |
dc.identifier.issn | 1000-3290 | - |
dc.identifier.uri | http://hdl.handle.net/10722/242564 | - |
dc.description.abstract | Based 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.language | eng | - |
dc.publisher | Science Press (科學出版社). The Journal's web site is located at http://g203.iphy.ac.cn/wulixb/ | - |
dc.relation.ispartof | Acta physica Sinica = 物理學報 | - |
dc.subject | Anatase semi-conductor | - |
dc.subject | Concentration of oxygen vacancy | - |
dc.subject | Conductivity | - |
dc.subject | First principles calculation | - |
dc.title | Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by first principles calculations | - |
dc.type | Article | - |
dc.identifier.email | Chen, Y: yuechen@hku.hk | - |
dc.identifier.authority | Chen, Y=rp01925 | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.scopus | eid_2-s2.0-40049101855 | - |
dc.identifier.volume | 57 | - |
dc.identifier.issue | 1 | - |
dc.identifier.spage | 428 | - |
dc.identifier.epage | 442 | - |
dc.publisher.place | Beijing (北京) | - |
dc.identifier.issnl | 1000-3290 | - |