First Principle Study of the Attachment of Graphene onto Different Terminated Diamond (111) Surfaces

Figure 2

Side view of the electron density difference for a (a) GHD system, (b) GFD system, (c) GD system, (d) GOHD system, (e) GD system, (f) GD2×1 system, (g) GHD system, and (h) GD system. The isosurface for (a)-(g) was set to 0.001/Å, and the isosurface for (h) was set to 0.015/Å. The H, O, C, and F atoms are shown in white, red, gray, and green, respectively. The colour scale in the plots goes from ∆ρ=-0.007/ų (blue) to ∆ρ=0.007/ų (red).

(a)

(b)

(c)

(d)

(e)

(f)

(g)

(h)