Graphene and g-C₃N₄-Based Gas Sensors

Table 14

The distance between the gases and the surface of g-CN, Gr, and r-GrO before and after optimization.

	Gr		r-GrO		g-CN
	Before	After	Before	After	Before	After
Bond lengths (Å)	0.869	0.938	0.869	0.94	0.869	0.957
dGr/rGrO-HF (Å)	2.5	3.70	2.5	3.26	2.5	1.29
Eads (eV)	−0.04 eV		−0.74 eV		−1.03 eV