Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS2, and COF2: A Density Functional Theory Study
Zhengqin Cao, Wei Li, Qiang Yao and 2 more
ACS Omega · 2020
doi:10.1021/acsomega.0c05235 (opens in a new tab)
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Abstract
High Resolution Image Download MS PowerPoint Slide In order to find promising sensor materials for HF, CS 2, and COF 2 detection to realize the online internal insulation defect diagnosis of a SF 6 gas electrical device, the gas sensing property, binding energy, adsorption distance, charge transfer, and density of states distribution, of Pt-doped anatase TiO 2 (101) surfaces on HF, CS 2, and COF 2 gas molecules was calculated and analyzed in this paper based on the density functional theory. The work suggested that the Pt–TiO 2 surface has a nice gas sensing upon CS 2 and COF 2 because of the increase of the conductivity of the Pt–TiO 2 surface and the suitable adsorption parameter after CS 2 and COF 2 adsorbing on it. However, this material is not suitable as a gas sensor for HF gas. All of the works provide theoretical adsorption information of Pt–TiO 2 as a gas sensor material for HF, CS 2, and COF 2 detection.
Abstract licence: CC BY-NC-ND
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