Adsorption Characteristics of H2S and SO2 Gases on Cu2O Cluster-Modified Graphene Monolayer for Gas-Sensing Applications

In this study, the adsorption capability and gas-sensing performance of Cu2O-graphene on SF6-featured decomposers (H2S and SO2) were evaluated based on first-principles calculations. The most stable structure, adsorption energy, band structure, and DOS and PDOS were used to investigate the adsorptio...

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Published inACS omega Vol. 8; no. 48; pp. 45763 - 45773
Main Authors Zhou, Shikai, Liu, Jingcheng, Pang, Siliang, Gui, Yingang
Format Journal Article
LanguageEnglish
Published American Chemical Society 05.12.2023
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Summary:In this study, the adsorption capability and gas-sensing performance of Cu2O-graphene on SF6-featured decomposers (H2S and SO2) were evaluated based on first-principles calculations. The most stable structure, adsorption energy, band structure, and DOS and PDOS were used to investigate the adsorption mechanism. The findings suggest that all adsorption systems are exothermic and spontaneous. The density of states analysis suggests that the adsorption of H2S and SO2 is chemisorbed. The recovery time shows that the desorption time after H2S adsorption is shorter at a suitable temperature. In contrast, the desorption time of SO2 was quite long in some systems, which reduced the detection efficiency. In summary, Cu2O-graphene could be a promising gas-sensing material for the detection of two-characteristic SF6-decomposition products.
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ISSN:2470-1343
DOI:10.1021/acsomega.3c06310