Graphene and g-C₃N₄-Based Gas Sensors

Table 11

Side and top views of the equilibrium adsorption configuration of NO₂, CO₂, and HF on g-CN and HF adsorbed on Gr and r-GrO.

Systems	Structure before optimization	Optimized structure
g-CN-NO2
	g-CN-CO2
g-CN-HF
	r-GrO-HF
Gr-HF