Carbon Nanotube Based NH3 Gas Sensor: Ab-Initio Study

The electronic and transport properties of carbon nanotube has been investigated in presence of ammonia gas molecule, using Density Functional Theory (DFT) based ab-initio approach. The model of CNT sensor has been build using zigzag (7, 0) CNT with a NH3 molecule adsorbed on its surface. The presence of NH3 molecule results in increase of CNT band gap. From the analysis of I-V curve, it is observed that the adsorption of NH3 leads to different voltage and current curve in comparison to its pristine state confirms the presence of NH3.