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First-Principle Insight into the Ru-Doped PtSe 2 Monolayer for Detection of H 2 and C 2 H 2 in Transformer Oil.
- Source :
-
ACS omega [ACS Omega] 2020 Dec 04; Vol. 5 (49), pp. 31872-31879. Date of Electronic Publication: 2020 Dec 04 (Print Publication: 2020). - Publication Year :
- 2020
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Abstract
- Using first-principles theory, this paper investigates the sensing behavior of the Ru-doped PtSe <subscript>2</subscript> (Ru-PtSe <subscript>2</subscript> ) monolayer for two dominant gases, namely, H <subscript>2</subscript> and C <subscript>2</subscript> H <subscript>2</subscript> , in the transformer oil to explore its potential as a gas sensor to evaluate the operation status of the electrical transformers. Ru-doping prefers to go through the S <subscript>1</subscript> site with the largest E <subscript>b</subscript> of -3.71 eV. Chemisorption is identified in the H <subscript>2</subscript> and C <subscript>2</subscript> H <subscript>2</subscript> systems with E <subscript>ad</subscript> obtained as -0.83 and - 2.09 eV, respectively, indicating the stronger performance of the Ru-PtSe <subscript>2</subscript> monolayer upon C <subscript>2</subscript> H <subscript>2</subscript> adsorption. Meanwhile, the obvious improvement of bandgap in the C <subscript>2</subscript> H <subscript>2</subscript> system suggests the potential of Ru-PtSe <subscript>2</subscript> monolayer as a resistance-type gas sensor for C <subscript>2</subscript> H <subscript>2</subscript> detection. Moreover, the applied biaxial strains ranging at 1-5% give rise to various Q <subscript>T</subscript> and E <subscript>g</subscript> in two systems, indicating the tunable sensing response of the Ru-PtSe <subscript>2</subscript> monolayer for gas detection with modulated strains. Our calculation proposes a novel 2D sensing material for H <subscript>2</subscript> and C <subscript>2</subscript> H <subscript>2</subscript> detection, which would be beneficial to stimulate more edge-cutting research in the gas sensing field as well.<br />Competing Interests: The authors declare no competing financial interest.<br /> (© 2020 American Chemical Society.)
Details
- Language :
- English
- ISSN :
- 2470-1343
- Volume :
- 5
- Issue :
- 49
- Database :
- MEDLINE
- Journal :
- ACS omega
- Publication Type :
- Academic Journal
- Accession number :
- 33344841
- Full Text :
- https://doi.org/10.1021/acsomega.0c04718