Figure 3 | Scientific Reports

Figure 3

From: Tuning near-gap electronic structure, interface charge transfer and visible light response of hybrid doped graphene and Ag3PO4 composite: Dopant effects

Figure 3

The Mulliken population charges on the doped atoms and the atoms around the doped atom in GR sheet.

(a–e) are for undoped, BC-, NC-, SC- and PC+VC-doped GR/Ag3PO4(100) composites, respectively. The red digits denote the significant variations of Mulliken population charges, relative to the corresponding positions in the GR/Ag3PO4(100) composite. It is clear that some C atoms become positively charged, while others are negative in these composites. Those atoms, especially the dopants, with positive effective charge will facilitate the adsorption of some species with negative charges, thus becoming active sites.

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