Table 8. Comparative analysis of HF and H2S gas sensing performance of various 2D nanomaterials, based on key parameters including adsorption energy (Eads), band gap (Eg), charge transfer (Δq), work function (Φ), and recovery time.
| Structure | Gas | E ads (eV) | E g (eV) | Δq (e) | Φ (eV) | Recovery time (s) | Ref. |
|---|---|---|---|---|---|---|---|
| BP | HF | −0.276 | 0.879 | −0.08 | 1.719 | 5.7 × 10−11 | — |
| BP | H2S | −0.133 | 0.866 | 0.00 | 1.751 | 2.3 × 10−13 | — |
| Al-BP | HF | −1.651 | 1.007 | −0.62 | 1.576 | 6.7 × 1012 | — |
| Al-BP | H2S | −0.828 | 0.991 | 0.09 | 1.402 | 1.1 × 10−1 | — |
| Ti-BP | HF | −0.502 | 0.000 | −0.06 | 1.643 | 3.5 × 10−7 | — |
| Ti-BP | H2S | −0.584 | 0.000 | 0.08 | 1.579 | 8.5 × 10−6 | — |
| PdAs2 | HF | −0.390 | 0.300 | 0.11 | 4.708 | 4.2 × 10−6 | 85 |
| PdAs2 | H2S | −0.490 | 0.280 | −0.13 | 4.573 | 1.8 × 10−4 | 85 |
| ZnS ML | HF | −0.860 | 2.940 | −0.08 | 6.402 | 2.8 × 102 | 86 |
| β-TeO2 | H2S | −0.298 | 2.705 | 0.003 | — | 1.0 × 10−7 | 87 |
| GeS2 | HF | −0.250 | 0.930 | −0.13 | — | 1.5 × 10−8 | 88 |
| GeS2 | H2S | −0.230 | 0.440 | −0.02 | — | 6.5 × 10−9 | 88 |
| CuBr | HF | −0.222 | 3.191 | −0.03 | 5.130 | 7.1 × 10−9 | 89 |
| BNNS | H2S | −0.175 | 4.035 | −0.02 | 4.230 | 9.0 × 10−10 | 90 |
| Pristine twin graphene | HF | −0.160 | 0.710 | −0.05 | — | — | 91 |
| Pristine twin graphene | H2S | −0.220 | 0.680 | −0.06 | — | — | 91 |