Table 1.

Defect complex formation energy E_f using LDA, ΔE_f is the difference between the bilayer formation energy of the bilayer structure formed by two defects E_f and the formation energy of each defect in its monolayer graphene structure, $\mathrm{\Delta }{E}_f=E_{f,12}-(E_{f\mathrm{,1}}+E_{f\mathrm{,2}})$.

Defect	Clipped?	EfLDA (eV)	ΔEfLDA (eV)
Mon. pyri. + SV	no	12.86	0.24
	yes	12.76	0.34
Mon. pyri. + subst.	no	4.70	0.50
Trim. pyri. + SV	no	10.33	0.36
	yes	9.81	0.52
Trim. pyrr. + SV	no	12.58	0.25
	yes	11.45	1.38
Trim. pyrr. + subst.	no	4.55	0.38
Trim. pyrr. + Trim. pyri.	no	7.16	0.52
	yes	7.68	0.46