Document Type : Original Article
Authors
1 Department of Communication and Electronics Engineering, Faculty of Electrical and Computer Engineering, Shiraz University, Shiraz, Iran
2 . Department of Nanoelectronics Engineering, Faculty of Advanced Technologies, Shiraz University, Shiraz, Iran
Abstract
The main purpose of this article is to investigate the capability of g-SiC and g-SiC2 siligraphenes in detecting H2S gas through diverse sensing mechanisms, using density functional theory. The results of our calculations demonstrate that the adsorption of H2S molecule onto both siligraphenes is a physical and exothermic process. The Physical adsorption process helps sensing materials to recover soon (few nanoseconds) after gas removal at room temperature. Investigation of geometric and electronic properties of g-SiC and g-SiC2 in combination with H2S molecule shows that both materials have the gas-detection ability through thermal- and resistance-based mechanisms. For example, the electrical conductance of g-SiC changes by 38% in result of gas adsorption. In addition, the presence of H2S molecule on the g-SiC surface, changes the type of its majority carriers and makes it possible to use this material in Seebeckeffect-based H2S sensors. Overall, various sensing mechanisms besides short recovery time, make g-SiC and g-SiC2 great candidates to be used in H2S gas sensor as sensing material.
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