Quantum chemical study of point defects in tin dioxide
First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA), and the introduction of intra-atomic interaction term for strongly correlated-electrons (DFT+, have been utilized to study defective crystals. Introduction of some impuriti...
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2014
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| Online Zugang: | http://dspace.utpl.edu.ec/handle/123456789/19147 |
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