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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...

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Autori principali: Luis Villamagua, Richard Rivera, Darwin Castillo, Manuela Carini
Natura: Artigo
Lingua:Inglês
Pubblicazione: AIP Publishing LLC 2017-10-01
Serie:AIP Advances
Accesso online:http://dx.doi.org/10.1063/1.4999014
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