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The Adsorption Characteristics of HfS2 for Air Partial Discharge Component CO Based on the First Principle

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The proceedings of the 16th Annual Conference of China Electrotechnical Society

Part of the book series: Lecture Notes in Electrical Engineering ((LNEE,volume 890))

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Abstract

A large number of power equipment work in closed or semi closed environment for a long time. Carbon monoxide (CO) is the highest concentration gas component in its fault discharge gas. Based on the Density functional theory of first principle, the adsorption behavior of CO gas molecule on intrinsic, Ag-doped hafnium disulfide (HfS2) monolayer was systematically studied at the atomic scale. Firstly, the intrinsic HfS2, Ag doped HfS2 (Ag-HfS2) monolayer with different doping sites were created. The most stable doping structure was selected to obtain the best performance of subsequent adsorbed gas. Then, the CO adsorption models of intrinsic HfS2, Ag-HfS2 were constructed and geometrically optimized. The results showed that Ag-HfS2 monolayer had good detection sensitivity and adsorption performance for CO. The research content of this paper provides a theoretical basis for the design and research of gas sensing materials based on HfS2, promoting the development and application of HfS2 in gas sensing and other fields.

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References

  1. Liu, B.S., Wang, D., Ma, A.J., et al.: Study on the components of air under partial discharge condition in closed space. Power Syst. Protect. Control 49(09), 21–28 (2021). (in Chinese)

    Google Scholar 

  2. Tao, S.Y., Feng, Y., Zhang, T.C., et al.: High voltage switch cabinet partial discharge on-line monitoring device based on pulse current method. Power Syst. Protect. Control 47(9), 145–149 (2019). (in Chinese)

    Google Scholar 

  3. Novoselov, K., Geim, A., Morozov, S., et al.: Electric field effect in atomically thin carbon films. Science 306(5696), 666–669 (2004)

    Article  Google Scholar 

  4. Zhang, D.Z., Wu, J.F., Li, P., Cao, Y.H.: Room-temperature SO2 gas-sensing properties based on a metal-doped MoS2 nanoflower: an experimental and density functional theory investigation. J. Mater. Chem. 5(39), 20666–20677 (2017)

    Article  Google Scholar 

  5. Baek, J., Demin, Y., et al.: A highly sensitive chemical gas detecting transistor based on highly crystalline CVD-grown MoSe2 films. Nano Res. 10(8), 2904 (2017)

    Article  Google Scholar 

  6. Abbasi, A., Sardroodi, J.: Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: a computational investigation. Apply Surf. Sci. 469, 781–791 (2019)

    Article  Google Scholar 

  7. Wang, J.X., Zhou, Q., Lu, Z.R., et al.: Adsorption of H2O molecule on TM (Au, Ag) doped-MoS2 monolayer: a first-principles study. Physica E 113, 72–78 (2019)

    Article  Google Scholar 

  8. Zhang, W., Huang, Z., Zhang, W., Li, Y.: Two-dimensional semiconductors with possible high room temperature mobility. Nano Res. 7(12), 1731–1737 (2014)

    Article  Google Scholar 

  9. Aretouli, K., Tsipas, P., Tsoutsou, D., et al.: Two-dimensional semiconductor HfSe2 and MoSe2/HfSe2 van der Waals heterostructures by molecular beam epitaxy. Appl. Phys. Lett. 106(14), 699 (2015)

    Article  Google Scholar 

  10. Cheng, G., Zhang, H.J., Wang, W.H., et al.: Band alignment of two-dimensional transition metal dichalcogenides: application in tunnel field effect transistors. Appl. Phys. Lett. 103(5), 329 (2013)

    Article  Google Scholar 

  11. Wu, P., Yin, N.Q., Li, P., Cheng, W.J., Min, H.: The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles study. Phys. Chem. Chem. Phys. 19(31), 20713–20722 (2017)

    Google Scholar 

  12. Yuwen, L.H., Xu, F., Xue, B., et al.: General synthesis of noble metal (Au, Ag, Pd, Pt) nanocrystal modified MoS2 nanosheets and the enhanced catalytic activity of Pd-MoS2 for methanol oxidation. Nanoscale 6(11), 5762–5769 (2014)

    Article  Google Scholar 

  13. Michael, S.: Air sensitivity of MoS2, MoSe2, MoTe2, HfS2 and HfSe2. J. Appl. Phys. 120(12), 125102 (2016)

    Google Scholar 

  14. Delley, B.: From molecules to solids with the DMol3 approach. J. Chem. Phys. 113(18), 7756–7764 (2000)

    Article  Google Scholar 

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Acknowledgment

This work was supported by National Natural Science Foundation of China (NSFC) under Project Numbers 52077177.

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Authors and Affiliations

  1. Electric Power Science Research Institute of Yunnan Power Grid Co., Ltd., Kunming, China

    Guochao Qian, Jin Hu, Shan Wang & Weiju Dai

  2. College of Engineering and Technology, Southwest University, Chongqing, China

    Wenjun Hou & Qu Zhou

  3. State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing, China

    Guochao Qian

Authors
  1. Guochao Qian
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  2. Jin Hu
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  3. Shan Wang
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  4. Weiju Dai
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  5. Wenjun Hou
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  6. Qu Zhou
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Corresponding author

Correspondence to Qu Zhou .

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Editors and Affiliations

  1. Department of Electrical Engineering, Tsinghua University, Beijing, Beijing, China

    Xidong Liang

  2. Institute of Electrical Engineering, Beijing, Beijing, China

    Yaohua Li

  3. Beijing Jiaotong University, Beijing, Beijing, China

    Jinghan He

  4. Tianjin University of Technology, Tianjin, Tianjin, China

    Qingxin Yang

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Qian, G., Hu, J., Wang, S., Dai, W., Hou, W., Zhou, Q. (2022). The Adsorption Characteristics of HfS2 for Air Partial Discharge Component CO Based on the First Principle. In: Liang, X., Li, Y., He, J., Yang, Q. (eds) The proceedings of the 16th Annual Conference of China Electrotechnical Society. Lecture Notes in Electrical Engineering, vol 890. Springer, Singapore. https://doi.org/10.1007/978-981-19-1870-4_81

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  • DOI: https://doi.org/10.1007/978-981-19-1870-4_81

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  • Publisher Name: Springer, Singapore

  • Print ISBN: 978-981-19-1869-8

  • Online ISBN: 978-981-19-1870-4

  • eBook Packages: EngineeringEngineering (R0)

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