Abstract:In this paper, the electronic structure and photoelectric properties of P and Cu doped ZnO systems have been studied by Density functional theory method. The results show that the formation energies of ZnO-P-Cu, ZnO-P-2Cu, ZnO-P and ZnO-Cu systems decrease in turn Compared with the intrinsic ZnO system, the ZnO-P, ZnO-P-Cu, ZnO-P-2Cu and ZnO-Cu systems have higher activity, the band gap of ZnO-P and ZnO-P-2Cu systems is reduced, and the electron transition is easier. In the doped system, the peak of the dielec… Show more
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