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 |