Review Article
Graphene and g-C3N4-Based Gas Sensors
Table 12
The angle between the bonds, the bond lengths, and the distance between the gases and the surface of g-CN before and after optimization.
| | | CO2 | NO2 | HF | | Before | After | Before | After | Before | After |
| | Angle (°) | 180° | 179.42° | 134.42° | 129.69° | — | — | | Bond lengths (5 Å) | 1.181 | 1.172/1.170 | 1.203 | 1.219/1.225 | 0.869 | 0.957 | | d g-CN-gas (Å) | 2.5 | 3.24 | 2.5 | 3.13 | 2.5 | 1.29 |
| | Eads | −0.59 eV | −0.16 eV | −1.03 eV | | Eads literature | −0.226 eV [135], 0.3975 eV [134] | −0.231 eV [136] | — |
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