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

Shikai Zhou; Jingcheng Liu; Siliang Pang; Yingang Gui

doi:10.1021/acsomega.3c06310

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

ACS Omega. 2023 Nov 20;8(48):45763-45773. doi: 10.1021/acsomega.3c06310. eCollection 2023 Dec 5.

Authors

Shikai Zhou¹, Jingcheng Liu^{1

2}, Siliang Pang³, Yingang Gui³

Affiliations

¹ College of Electronic Information Engineering, Chongqing Technology and Business Institute, Chongqing 400052, China.
² Liquor Making Microbial Application & Detection Technology of Luzhou Key Laboratory, Luzhou Vocational & Technical College, Luzhou 646000, China.
³ College of Engineering and Technology, Southwest University, Chongqing 400715, China.

Abstract

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.