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The working mechanism of sensors plays an important role in their simulation and design,which is the foundation of their applications.A model of a nanotube NO2 gas sensor system is established based on an (8,0) silicon carbide nanotube (SiCNT) with a NO2 molecule adsorbed.The transport properties of the system are studied with a method combining density functional theory (DFT) with the non-equilibrium Green’s function (NEGF).The adsorbed gas molecule plays an important role in the transport properties of the gas sensor,which results in the formation of a transmission peak near the Fermi energy.More importantly,the adsorption leads to different voltage current characteristics of the sensor to that with no adsorption;the difference is large enough to detect the presence of NO2 gas.
The working mechanism of sensors plays an important role in their simulation and design, which is the foundation of their applications. A model of a nanotube NO2 gas sensor system is established based on an (8,0) silicon carbide nanotube (SiCNT) with a NO2 molecule adsorbed. The transport properties of the system are studied with a method combining density functional theory (DFT) with the non-equilibrium Green’s function (NEGF). The adsorbed gas molecule plays an important role in the transport properties of the gas sensor, which results in the formation of a transmission peak near the Fermi energy. More importantly, the adsorption leads to different voltage current characteristics of the sensor to that with no adsorption; the difference is large enough to detect the presence of NO2 gas.