First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO2 of Oxygen Vacancies

For the propose of considering the actual situation of electronic neutral, a simulation has been down on the basis of choosing the position of dual N and researching the oxygen vacancy. It is found that the reason why crystal material gets smaller is due to the emergence of impurity levels. By intro...

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Bibliographic Details
Main Author: Zhong-Liang Zeng
Format: Article
Language:English
Published: Wiley 2015-01-01
Series:Advances in Materials Science and Engineering
Online Access:http://dx.doi.org/10.1155/2015/670243
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