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• W2963979633 abstract "Abstract The enhanced photocatalytic performance of doped graphene (GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the dopant effects, we investigate the electronic structures and optical properties of doped GR/Ag 3 PO 4 nanocomposites using the first-principles calculations, demonstrating that the band gap, near-gap electronic structure and interface charge transfer of the doped GR/Ag 3 PO 4 (100) composite can be tuned by the dopants. Interestingly, the doping atom and C atoms bonded to dopant become active sites for photocatalysis because they are positively or negatively charged due to the charge redistribution caused by interaction. The dopants can enhance the visible light absorption and photoinduced electron transfer. We propose that the N atom may be one of the most appropriate dopants for the GR/Ag 3 PO 4 photocatalyst. This work can rationalize the available experimental results about N-doped GR-semiconductor composites and enriches our understanding on the dopant effects in the doped GR-based composites for developing high-performance photocatalysts." @default.
• W2963979633 created "2019-07-30" @default.
• W2963979633 creator A5006716882 @default.
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• W2963979633 date "2016-02-29" @default.
• W2963979633 modified "2023-09-23" @default.
• W2963979633 title "Tuning near-gap electronic structure, interface charge transfer and visible light response of hybrid doped graphene and Ag3PO4 composite: Dopant effects" @default.
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• W2963979633 doi "https://doi.org/10.1038/srep22267" @default.
• W2963979633 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4770300" @default.
• W2963979633 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26923338" @default.
• W2963979633 hasPublicationYear "2016" @default.
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