Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study

[Image: see text] 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 distrib...

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Autores principales: Cao, Zhengqin, Li, Wei, Yao, Qiang, Zhang, Haiyan, Wei, Gang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7807789/
https://www.ncbi.nlm.nih.gov/pubmed/33458522
http://dx.doi.org/10.1021/acsomega.0c05235
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author Cao, Zhengqin
Li, Wei
Yao, Qiang
Zhang, Haiyan
Wei, Gang
author_facet Cao, Zhengqin
Li, Wei
Yao, Qiang
Zhang, Haiyan
Wei, Gang
author_sort Cao, Zhengqin
collection PubMed
description [Image: see text] 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.
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spelling pubmed-78077892021-01-15 Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study Cao, Zhengqin Li, Wei Yao, Qiang Zhang, Haiyan Wei, Gang ACS Omega [Image: see text] 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. American Chemical Society 2020-12-31 /pmc/articles/PMC7807789/ /pubmed/33458522 http://dx.doi.org/10.1021/acsomega.0c05235 Text en © 2020 The Authors. Published by American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Cao, Zhengqin
Li, Wei
Yao, Qiang
Zhang, Haiyan
Wei, Gang
Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title_full Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title_fullStr Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title_full_unstemmed Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title_short Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS(2), and COF(2): A Density Functional Theory Study
title_sort platinum-doped anatase (101) surface as promising gas-sensor materials for hf, cs(2), and cof(2): a density functional theory study
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7807789/
https://www.ncbi.nlm.nih.gov/pubmed/33458522
http://dx.doi.org/10.1021/acsomega.0c05235
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