Density functional theory calculations on graphene/α-SiO2(0001) interface

Table 1 Atomic structure parameters of bulk SiO₂, clean SiO₂(0001) surface, and graphene/SiO₂(0001) interface

Measurement	Bulk SiO₂	Clean SiO₂ slab	Graphene/SiO₂ (structure A)
d₀ (Å)			2.820
d₁ (Å)	1.798	1.685	1.619
l₀ (Å)	1.596	1.620	1.616
α₁ (°)	146.529	137.140	135.932
l_C-C (Å)			1.430

d₁ is the distance between the first and the second Si atom layers; l₀ is the length of Si-O bond on the surface or interface; α₁ is the value of the Si-O-Si angle; l_C-C is the average bond length of C-C.