Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components
Perfluorinated isobutyronitrile (C<sub>4</sub>F<sub>7</sub>N) is favored in electrical engineering because it is an environmentally friendly gas-insulating medium with a low greenhouse effect. Unfortunately, under the influence of electricity and over-heating, its decompositi...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-08-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/12/16/2829 |
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| author | Changyun Li Peigang Chen Yongjin Yu Chuanyang Li |
| author_facet | Changyun Li Peigang Chen Yongjin Yu Chuanyang Li |
| author_sort | Changyun Li |
| collection | DOAJ |
| description | Perfluorinated isobutyronitrile (C<sub>4</sub>F<sub>7</sub>N) is favored in electrical engineering because it is an environmentally friendly gas-insulating medium with a low greenhouse effect. Unfortunately, under the influence of electricity and over-heating, its decomposition results in the deterioration of its insulating properties, which potentially leads to partial discharge or even gas breakdown. In this paper, the adsorption behavior of C<sub>4</sub>F<sub>7</sub>N gas and its toxic decomposition product, acetonitrile (C<sub>2</sub>N<sub>2</sub>), on MoS<sub>2</sub> surfaces doped with small copper clusters was investigated by calculating the adsorption energy and density of states, etc. The effects of multiple initial adsorption positions as well as externally applied electric fields were also taken into account. The results depict that the maximum adsorption energy of C<sub>4</sub>F<sub>7</sub>N on the Cu<sub>γ</sub> (γ = 1–3)-MoS<sub>2</sub> surface gradually decreases with the increase in <i>γ</i>. The Cu<sub>3</sub>-modified MoS<sub>2</sub> is most suitable for use as a resistive-based gas-sensitive sensor substrate. This paper provides the theoretical foundation for the maintenance of future power equipment with environmentally friendly insulating gas. |
| first_indexed | 2024-03-09T12:50:57Z |
| format | Article |
| id | doaj.art-6bccf6c9462d43ebae65ab462d5881d2 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T12:50:57Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-6bccf6c9462d43ebae65ab462d5881d22023-11-30T22:06:50ZengMDPI AGNanomaterials2079-49912022-08-011216282910.3390/nano12162829Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition ComponentsChangyun Li0Peigang Chen1Yongjin Yu2Chuanyang Li3College of Electrical Engineering and Automation, Shandong University of Science and Technology, Qingdao 266590, ChinaCollege of Electrical Engineering and Automation, Shandong University of Science and Technology, Qingdao 266590, ChinaCollege of Electrical Engineering and Automation, Shandong University of Science and Technology, Qingdao 266590, ChinaDepartment of Electrical Engineering, Tsinghua University, Beijing 100084, ChinaPerfluorinated isobutyronitrile (C<sub>4</sub>F<sub>7</sub>N) is favored in electrical engineering because it is an environmentally friendly gas-insulating medium with a low greenhouse effect. Unfortunately, under the influence of electricity and over-heating, its decomposition results in the deterioration of its insulating properties, which potentially leads to partial discharge or even gas breakdown. In this paper, the adsorption behavior of C<sub>4</sub>F<sub>7</sub>N gas and its toxic decomposition product, acetonitrile (C<sub>2</sub>N<sub>2</sub>), on MoS<sub>2</sub> surfaces doped with small copper clusters was investigated by calculating the adsorption energy and density of states, etc. The effects of multiple initial adsorption positions as well as externally applied electric fields were also taken into account. The results depict that the maximum adsorption energy of C<sub>4</sub>F<sub>7</sub>N on the Cu<sub>γ</sub> (γ = 1–3)-MoS<sub>2</sub> surface gradually decreases with the increase in <i>γ</i>. The Cu<sub>3</sub>-modified MoS<sub>2</sub> is most suitable for use as a resistive-based gas-sensitive sensor substrate. This paper provides the theoretical foundation for the maintenance of future power equipment with environmentally friendly insulating gas.https://www.mdpi.com/2079-4991/12/16/2829first principleC<sub>4</sub>F<sub>7</sub>N decomposition componentsgas sensorsadsorptionapplied electric field |
| spellingShingle | Changyun Li Peigang Chen Yongjin Yu Chuanyang Li Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components Nanomaterials first principle C<sub>4</sub>F<sub>7</sub>N decomposition components gas sensors adsorption applied electric field |
| title | Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components |
| title_full | Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components |
| title_fullStr | Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components |
| title_full_unstemmed | Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components |
| title_short | Cu<sub>γ</sub> (γ = 1–3)-Modified MoS<sub>2</sub> Monolayer as a Gas Sensor for Detecting C<sub>4</sub>F<sub>7</sub>N and Its Decomposition Components |
| title_sort | cu sub γ sub γ 1 3 modified mos sub 2 sub monolayer as a gas sensor for detecting c sub 4 sub f sub 7 sub n and its decomposition components |
| topic | first principle C<sub>4</sub>F<sub>7</sub>N decomposition components gas sensors adsorption applied electric field |
| url | https://www.mdpi.com/2079-4991/12/16/2829 |
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