| Cite this article as: Li Ya-Sha,Liu Qing-Dong,Xia Yu,Hu Huo-Ran,Li Guang-Zhu,Liu Shi-Chong. Calculation of adsorption performance Mn doped with MoS2 to dissolved gases in oil based on the first-principle [J]. J. At. Mol. Phys.(原子与分子物理学报), 2023, 40: 011005 (in Chinese) |
| Calculation of adsorption performance Mn doped with MoS2 to dissolved gases in oil based on the first-principle |
| Hits 545 Download times 173 Received:November 01, 2021 Revised:November 26, 2021 |
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| Key Words
First principles Transformer oil Mn doped MoS2 Adsorption performance Sensitivity |
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| Abstract
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| CO、C2H2 and CH4 are typical fault characteristic gases dissolved in transformer oil. Their types and concentrations can reflect different types and severity of insulation faults. Dissolved gas analysis in oil is an effective method for on-line detection of transformer operation state. Therefore, a gas sensor based on Mn-MoS2 is proposed to analyze gas in oil. The adsorption of three gases on Mn-MoS2 monolayer was studied based on the first principle. The parameters such as adsorption energy, transfer charge and deformation charge density were analyzed. At the same time, desorption performance analysis and sensitivity calculation are also carried out. The results show that Mn-MoS2 is chemisorption for CO and C2H2 and physical adsorption for CH4. The desorption performance of CO on Mn doped MoS2 is poor, the adsorption of C2H2 is stable at room temperature, easy to desorb at high temperature and high sensitivity, CH4 is easily desorbed at room temperature. Therefore, Mn doped MoS2 can be expected as a gas adsorbent for CO and a new resistive gas sensor for detecting C2H2. |
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