Defects in TiO<inf>2</inf> crystals
TiO<inf>2</inf> 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 descript...
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| 格式: | article |
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2013
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| 在線閱讀: | http://dspace.utpl.edu.ec/handle/123456789/18855 |
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