First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO2

First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO2

Chemical doping represents one of the most effective ways in engineering electronic structures of anatase TiO2 for practical applications. Here, we investigate formation energies, geometrical structures, and electronic properties of Si-, F-doped and Si/F co-doped anatase TiO2 by using spin-polarized...

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Bibliographic Details
Main Authors: Li Hongping, Chen Lin, Liu Shuai, Li Changsheng, Meng Jian, Wang Zhongchang
Format: Article
Language:English
Published: Sciendo 2015-09-01
Series:Materials Science-Poland
Subjects:
anatase tio2
si/f co-doping
first-principles
electronic properties
Online Access:https://doi.org/10.1515/msp-2015-0081

Internet

https://doi.org/10.1515/msp-2015-0081

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