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. 2025 Aug 13;15(35):28703–28720. doi: 10.1039/d5ra04844c

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