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

Table 1

Interface distances and adhesion energies for a monolayer of graphene adhered to a nonterminated 2×1-reconstructed diamond (111) surface, or to H-, F-, -, OH-, and -terminated diamond (111) surfaces, respectively.

Diamond (111) Surface	Interface	Adhesion Energy	Adhesion Energy
	Distance (Å)	(eV)	(eV)
H-Diamond	2.68	-0.11	-10.6
F-Diamond	3.11	-0.03	-2.9
-Diamond	3.00	-0.08	-7.7
OH-Diamond	2.94	-0.05	-4.8
-Diamond	2.97	-0.05	-5.4
Reconstructed 2×1-Diamond	3.36	-0.07	-6.7