Understanding W Doping in Wurtzite ZnO

Vines, F; Iglesias-Juez, A; Fernandez-Garcia, M; Illas, F

Illas, F (reprint author), Univ Barcelona, Dept Ciencia Mat & Quim Fis, C Marti i Franques 1, E-08028 Barcelona, Spain.; Illas, F (reprint author), Univ Barcelona, Inst Quim Teor & Computat IQTCUB, C Marti i Franques 1, E-08028 Barcelona, Spain.

JOURNAL OF PHYSICAL CHEMISTRY C, 2018; 122 (33): 19082

Abstract

In the context of band gap engineering of the ZnO photoactive material for solar harvesting applications via W doping, a number of a priori discrepant......

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