Design a novel sensor for environmental pollutant SO2gas detection based on Pt-doped single walled carbon nanotube

The detection of biological and chemical species in atmosphere or process gases is of a great concern in relation to environmental pollution, emission monitoring and process controlling.The developments of iniature and portable gas sensors that are able to detect gas analytes in real time with good sensing performance will significantly impact our life. Density functional theory (DFT) calculations were carried out to analyze the electronic and structural properties of platinum doped (5,5) single walled carbon nanotube (SWCNT) as a sensor for the detection of sulfur dioxide (SO2). The binding energies, equilibrium gas-nanotube distances, the amounts of charge transfer the density of states have been calculated and used to interpret the mechanism of gas adsorption on the surface of nanotube. The results reveal that Pt-doped. SWCNT can be considered as a good sensor for SO2due to its high binding energy and the strong influence of the presence of gas on the electronic structure of these novel sensors

کلیدواژه ها:

environmental pollution ، carbon nanotube sensor ، SO2 ، DFT