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The structure, electronic, and optical properties of (Sm,N)-codoped anatase TiO2 photocatalyst: A density functional study

โœ Scribed by Lin, Yanming; Jiang, Zhenyi; Zhang, Ruiqin; Zhu, Chaoyuan; Hu, Xiaoyun; Zhang, Xiaodong; Zhu, Haiyan


Book ID
121844437
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
873 KB
Volume
309
Category
Article
ISSN
0021-9517

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## Abstract __To evaluate the electronic and optical properties of Crโ€doped anatase TiO~2~, three possible Crโ€doped TiO~2~ models, including Cr at a Ti site (model I), Cr at a Ti site with an oxygen vacancy compensation (model II), and an interstitial Cr site (model III), are studied by means of fi