Adsorption Characteristics of H<sub>2</sub>S and SO<sub>2</sub> Gases on Cu<sub>2</sub>O Cluster-Modified Graphene Monolayer for Gas-Sensing Applications
Shikai Zhou, Jingcheng Liu, Siliang Pang, Yingang Gui
Abstract
High Resolution Image Download MS PowerPoint Slide In this study, the adsorption capability and gas-sensing performance of Cu 2 O–graphene on SF 6 -featured decomposers (H 2 S and SO 2 ) 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 H 2 S and SO 2 is chemisorbed. The recovery time shows that the desorption time after H 2 S adsorption is shorter at a suitable temperature. In contrast, the desorption time of SO 2 was quite long in some systems, which reduced the detection efficiency. In summary, Cu 2 O–graphene could be a promising gas-sensing material for the detection of two-characteristic SF 6 -decomposition products.