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The electronic response of the aluminum phosphide nanotube to different concentrations of carbon disulfide molecules

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Abstract

Within this paper, we inspected the adsorption of carbon disulfide (CS2) on the intrinsic aluminum phosphide nanotube (AlPNT) by mean of density functional theory computations. The adsorption energy of a CS2 on the AlPNT is about − 96.2 kJ/mol. When one CS2 gets nearer to the AlPNT, considerable change was observed in the electronic properties of the AlPNT. Also, by increasing the concentration of CS2 molecules around the AlPNT, its sensitivity is highly increased. Based on the electronic analysis, there was an approximately 39.5% decrease in the HOMO–LUMO energy gap when four CS2 molecules were adsorbed, indicating that there is an increase in the electrical conductivity of the nanotube. Thus, as the CS2 molecules approach, the nanotube can generate electrical signals, indicating that the nanotube can be considered as an encouraging sensor. The recovery time for the desorption of CS2 molecule from the AlPNT surface was short (48.6 s).

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Acknowledgements

This was supported by Soft Science Research Project of Henan Province (No.212400410149).

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Authors and Affiliations

  1. Department of Chemical and Environmental Engineering, Jiaozuo University, Jiaozuo, 454000, Henan, China

    Cunhong Li & Yan Xu

  2. Jiaozuo Municipal Huaiyao Active Ingredient Analysis and Utilization Engineering Technology Research Center, Jiaozuo, 454000, Henan, China

    Cunhong Li

  3. Department of Agriculture, Jouybar Branch, Islamic Azad University, Jouybar, Iran

    Abdol Ghaffar Ebadi

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  1. Cunhong Li
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  2. Yan Xu
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Li, C., Xu, Y. & Ebadi, A.G. The electronic response of the aluminum phosphide nanotube to different concentrations of carbon disulfide molecules. Monatsh Chem 153, 339–345 (2022). https://doi.org/10.1007/s00706-022-02912-0

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