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Electronic and optical properties of Cr and Cr–N doped anatase TiO 2 from screened Coulomb hybrid calculations

✍ Scribed by Çelik, Veysel; Mete, Ersen

Book ID
121015976
Publisher
Institute of Physics
Year
2013
Tongue
English
Weight
840 KB
Volume
25
Category
Article
ISSN
0953-8984

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## Abstract __To evaluate the electronic and optical properties of Cr‐doped anatase TiO~2~, three possible Cr‐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