Recent advances in nanotechnology have revealed the superiority of nanocarbon species such as carbon nanotubes over other conventional materials for gas sensing applications. In this work, analytical modeling of the semiconducting zigzag carbon nanotube field-effect transistor (ZCNT-FET) based sensor for the detection of gas molecules is demonstrated. We propose new analytical models to strongly simulate and investigate the physical and electrical behavior of the ZCNT sensor in the presence of various gas molecules (CO2, H2O, and CH4). Therefore, we start with the modeling of the energy band structure by acquiring the new energy dispersion relation for the ZCNT and introducing the gas adsorption effects to the band structure model. Then, the electrical conductance of the ZCNT is modeled and formulated while the gas adsorption effect is considered in the conductance model. The band structure analysis indicates that, the semiconducting ZCNT experiences band gap variation after the adsorption of the gases. Furthermore, the bandgap variation influences the conductance of the ZCNT and the results exhibit increments of the ZCNT conductance in the presence of target gases while the minimum conductance shifted upward around the neutrality point. Besides, the I-V characteristics of the sensor are extracted from the conductance model and its variations after adsorption of different gas molecules are monitored and investigated. To verify the accuracy of the proposed models, the conductance model is compared with previous experimental and modeling data and a good consensus is observed. It can be concluded that the proposed analytical models can successfully be applied to predict sensor behavior against different gas molecules.
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