Table 1 The distances from the Ag3PO4(100) surface to pure and doped GR sheets after optimization and the formation energy Ef (eV) for the GR/Ag3PO4(100) and doped GR/Ag3PO4(100) composites.

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

Composites

Ef (eV)

Interface distance (Ã…)

d1

d2

GR/Ag3PO4(100)

−0.77

2.61

2.65

BC-GR/Ag3PO4(100)

−5.12

2.63

2.68

NC-GR/Ag3PO4(100)

−5.48

3.12

3.15

SC-GR/Ag3PO4(100)

2.22

1.73

2.71

PC+VC-GR/Ag3PO4(100)

−7.34

2.63

2.68

  1. d1 and d2 denote the farthest and closest distances from the Ag3PO4(100) surface to pure/doped GR sheets, respectively.
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