Table 1 The adsorption configuration comparison of ZnO-C3N monolayer and other nanomaterials
From: Adsorption of SF6 Decomposed Products on ZnO-Modified C3N: A Theoretical Study
Substrate | Gas | Eads/eV | QT/e | Substrate | Gas | Eads/eV | QT/e |
|---|---|---|---|---|---|---|---|
ZnO-C3N | SO2 | − 1.222 | − 0.426 | Ni-BNNT [52] | SO2 | − 0.864 | 0.105 |
SOF2 | − 1.683 | − 0.619 | SOF2 | − 0.522 | 0.078 | ||
SO2F2 | − 3.497 | − 0.813 | SO2F2 | − 0.223 | − 0.035 | ||
C3N [27] | H2S | − 0.230 | − 0.004 | Ni-ZnO [53] | SO2 | − 0.245 | − 0.086 |
SO2 | − 0.620 | − 0.23 | SOF2 | − 0.207 | 0.016 | ||
NO2 | − 0.790 | − 0.388 | SO2F2 | − 0.219 | 0.003 | ||
Au-TiO2 [54] | SO2 | − 0.657 | − 0.156 | Au-MoS2 [55] | SO2 | − 0.946 | − 0.222 |
SOF2 | − 0.593 | − 0.006 | SOF2 | − 0.332 | − 0.095 | ||
SO2F2 | − 0.200 | 0.039 | SO2F2 | − 0.175 | 0.002 |