Adsorption energy (E_ad), transferred charge (ΔQ) and the shortest distance (D) from molecule to monolayer, band gap (E_g), work function (Φ), and recovery time (τ) for VOC molecules adsorbed on the C₆N₇ monolayer.

System	E ad (eV)	ΔQ (e)	D (Å)	E g (eV)	Φ (eV)	τ (s)
Toluene-1	−0.956	0.009	2.769	1.000	6.422	1.2 × 104
Toluene-2	−0.771	−0.09	—	0.003	5.415	9.1
Benzene-1	−0.787	0.014	3.025	1.157	6.585	16.4
Benzene-2	−0.687	−0.162	—	0	5.442	0.3
Vinyl chloride-1	−0.812	0.168	2.981	1.187	6.639	44
Vinyl chloride-2	−0.771	0.155	1.422	0.564	6.041	8.9
Ethane-1	−0.424	−0.048	2.564	1.191	6.612	1.3 × 10−5
Ethane-2	−0.034	−0.004	2.998	1.185	6.639	3.8 × 10−12
Acetone-1	−0.704	−0.071	2.734	0.313	5.605	0.7
Acetone-2	−0.580	−0.028	—	0.005	5.442	5 × 10−3
Ethanol-1	−0.601	−0.060	3.226	0.778	6.258	2 × 10−2
Ethanol-2	−0.519	−0.099	—	0.123	5.551	5 × 10–4
Acetaldehyde-1	−0.586	−0.014	—	0.136	5.578	6 × 10−3
Acetaldehyde-2	−0.571	−0.015	3.184	0.811	6.232	3 × 10−3
Methanal-1	−0.459	0.005	2.572	0.984	6.394	5.3 × 10−5
Methanal-2	−0.436	−0.045	—	0.069	5.524	2.1 × 10−5