Adsorption and Sensing Performances of a TiO2 Cluster-Doped Graphene Monolayer toward SOF2 and SO2F2

Jianling Hao; Yingang Gui; Yuehong Liu

doi:10.1021/acs.langmuir.3c02650

Adsorption and Sensing Performances of a TiO₂ Cluster-Doped Graphene Monolayer toward SOF₂ and SO₂F₂

Langmuir. 2023 Nov 28;39(47):16915-16926. doi: 10.1021/acs.langmuir.3c02650. Epub 2023 Nov 15.

Authors

Jianling Hao^{1

2}, Yingang Gui^{1

2}, Yuehong Liu^{1

2}

Affiliations

¹ College of Engineering and Technology, Southwest University, Chongqing 400715, China.
² International R & D Center for New Technologies of Smart Grid and Equipment, Southwest University, Chongqing 400715, China.

PMID: 37966916
DOI: 10.1021/acs.langmuir.3c02650

Abstract

Due to the high surface activity of metal atoms, it is difficult for doped metals to maintain long-term stability. Compared with other metal oxides, TiO₂ graphene sensors have a higher sensing response and a larger specific surface area. However, there is currently no literature comparing and analyzing the effect of graphene-doped TiO₂ on the adsorption performance of SF₆ decomposition components. Therefore, this article investigated the adsorption performance of SF₆ decomposition products: the distribution of SOF₂ and SO₂F₂ on nTiO₂ (n = 1,2,3)-doped graphene. In order to explore the interaction mechanism between gas molecules and these modified systems, their E_ads, charge transfer, DOS, and PDOS were systematically studied. The doping of nTiO₂ significantly improves the adsorption ability of graphene to gas molecules, discovers and enriches the online monitoring methods of GIS, and improves the engineering application value of GIS.