首页|Sulfur-doped silicon carbide nanotube as a sensor for detecting liquefied petroleum gas at room temperature
Sulfur-doped silicon carbide nanotube as a sensor for detecting liquefied petroleum gas at room temperature
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NSTL
Elsevier
Sensing behaviors of sulfur-doped silicon carbide nanotube (S-SiCNT) to propane and butane gases, which are parts of Liquefied Petroleum Gas (LPG), are investigated by calculations of adsorption energy, electronic band structure, density of states (DOS), sensitivity and charge transfer using first principle calculations based on density functional theory. Adsorption of propane or butane undergoes spontaneous exothermic reactions, resulting in chemisorptions. Propane or butane adsorption on S-SiCNT induces notable alteration of electronic structure of the nanotube, which causes electron transfer from the nanotube to the propane or butane (hole doping). The sensitivity to propane is found much higher than that to butane of S-SiCNT. The calculated sensitivities to propane and butane of S-SiCNT and charge transfer analyses underscore the significant sensor properties of S-SiCNT to detect LPG at room temperature.
NSTL
Elsevier
