A quantum chemical analysis of Zn and Sb doping and co-doping in SnO2
This work presents a quantum chemical study of Zn and Sb doping and co-doping in SnO2 carried out by a DFT+U method. The analysis has been developed by introducing three different modifications in the otherwise pure SnO2 system. In the first place, an oxygen vacancy was introduced within the crystal...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2017-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4999014 |