Table 2.

N–Ga bond lengths and overlap populations of intact, Ga vacancy defect, and N vacancy defect surfaces.

Bonds	Intact surface		Ga vacancy defect surface		N vacancy defect surface
	Overlap population	Bond length/nm	Overlap population	Bond length/nm	Bonds	Overlap population	Bond length/nm
N1–Ga1	0.56	0.1974	0.73	0.1868	N2–Ga4	0.47	0.2053
N1–Ga2	0.55	0.1972	0.73	0.1868	N3–Ga4	0.47	0.2053
N1–Ga3	0.58	0.1967	0.65	0.1970	N4–Ga4	0.53	0.2012