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Hybrid density functional calculations was used to comprehensively study the electronic structure of S-, Snand Pb-monodoped and (Sn, S)- and (Pb, S)-codoped hexagonal WO3 (h-WO3) in order to improve their visible light photocatalytic activity. Results indicate that the (Sn, S)- and (Pb, S)-codoped h-WO3 can realize a significant band gap reduction and prevent the formation of empty states in the valence...
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