{"title":"Titanium Trisulfide as Sensitive Gas Sensor","authors":"Seyyed Mohammad Sadegh Seyyedi, M. Pourfath","doi":"10.1109/IranianCEE.2019.8786396","DOIUrl":null,"url":null,"abstract":"This work presents a comprehensive study on adsorption properties of CO, H2S, NH3, and NO on monolayer titanium trisulfide, by employing first-principle calculations. The optimized atomic sites, directions and the associated adsorption mechanisms are carefully analyzed. Transfer of charge between the gas molecule and the layer modifies the layer's resistance. Therefore, by evaluating the resistance variation, the concentration of gas molecules can be determined. The results indicate that nitrogen-based molecules especially NO, show the highest sensitivity among the studied gases. The results show that monolayer titanium trisulfide is suitable candidates for sensitive gas sensing applications.","PeriodicalId":6683,"journal":{"name":"2019 27th Iranian Conference on Electrical Engineering (ICEE)","volume":"55 1","pages":"97-100"},"PeriodicalIF":0.0000,"publicationDate":"2019-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2019 27th Iranian Conference on Electrical Engineering (ICEE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/IranianCEE.2019.8786396","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
This work presents a comprehensive study on adsorption properties of CO, H2S, NH3, and NO on monolayer titanium trisulfide, by employing first-principle calculations. The optimized atomic sites, directions and the associated adsorption mechanisms are carefully analyzed. Transfer of charge between the gas molecule and the layer modifies the layer's resistance. Therefore, by evaluating the resistance variation, the concentration of gas molecules can be determined. The results indicate that nitrogen-based molecules especially NO, show the highest sensitivity among the studied gases. The results show that monolayer titanium trisulfide is suitable candidates for sensitive gas sensing applications.
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