Defects in TiO2 crystals
TiO2 crystals, anatase and rutile, have been studied using Density Functional Theory (DFT) and the Generalized Gradient Approximation (GGA). Also, the intraatomic interaction term for strongly correlated d-electrons (DFT+U approximation) has been utilized for a proper description of the Ti d-electro...
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| Format: | article |
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2013
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| Accès en ligne: | http://dspace.utpl.edu.ec/handle/123456789/19187 |
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