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. 2023 Oct 2;13(41):28703–28712. doi: 10.1039/d3ra05573f

Average adsorption energy (Ead) and average transferred charge (ΔQ) from molecule to monolayer, band gap (Eg), work function (Φ), sensitivity (S) and recovery time (τ) for VOC molecules co-adsorbed on the C6N7 monolayer.

System E ad (eV) ΔQ (e) E g (eV) Φ (eV) S τ (s)
Toluene −0.886 −0.066 0.005 5.387 8.3 × 109 7.8 × 102
Benzene −0.743 −0.083 5.442 9.2 × 109 3
Vinyl chloride −0.707 0.014 0.854 6.285 6.1 × 102 0.7
Ethane −0.422 −0.048 1.189 6.669 5.6 × 10−2 1.3 × 10−5
Acetone −0.704 −0.062 0.005 5.469 8.3 × 109 0.4
Ethanol −0.614 −0.064 0.116 5.601 9.7 × 108 2.0 × 10−2
Acetaldehyde −0.624 −0.034 0.004 5.415 8.5 × 109 3.0 × 10−2
Methanal −0.459 0.022 0.092 5.524 1.5 × 109 3.6 × 10−5