Density Functional Characterization of t
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Kesong Yang; Ying Dai; Baibiao Huang
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Article
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2009
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John Wiley and Sons
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English
โ 338 KB
## Abstract __To evaluate the electronic and optical properties of Crโdoped anatase TiO~2~, three possible Crโdoped 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