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The CH3F and CH3Cl detection by the BeO nanotube in the presence of environmental gases

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Abstract

The adsorption of N2, O2, fluoromethane (CH3F), and chloromethane (CH3Cl) gases was explored onto a BeO nanotube (BeONT) by density functional theory calculations. N2, O2, and CH3F interact weakly with BeONT, so it cannot be employed as a sensor. Nevertheless, there is a considerable increase in the sensitivity and reactivity of the sheet through the CH3Cl approach. There is a reduction in the HOMO–LUMO gap of BeONT from 7.03 to 4.30 eV (~ − 38.8%) when CH3Cl is adsorbed, thereby increasing the electrical conductivity to a great extent. Hence, it is possible to convert the considerable change in conductivity into an electronic signal, which demonstrates the encouraging nature of BeONT as a sensor to detect CH3Cl. Additionally, the adsorption process reduces work function of BeONT to a great extent, which demonstrates that we can also employ it as a work function-type sensor for detecting CH3Cl among the mentioned molecules. The recovery time for the BeONT was calculated to be 18.6 s for CH3Cl desorption, representing a short recovery time.

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Authors and Affiliations

  1. Medical Laboratory Techniques Department, Al-Maarif University College, Al-Anbar-Ramadi, Iraq

    Saade Abdalkareem Jasim

  2. College of Science, Al-Qasim Green University, Al-Qasim, Iraq

    Ahmed M. Mohsen

  3. Al-Nisour University College, Baghdad, Iraq

    Usama S. Altimari

  4. Department of Radiology and Medical Imaging, College of Applied Medical Sciences, Prince Sattam Bin Abdulaziz University, Al-Kharj, 11942, Saudi Arabia

    Mustafa Z. Mahmoud

  5. Faculty of Health, University of Canberra, Canberra, ACT, Australia

    Mustafa Z. Mahmoud

  6. Al-Manara College for Medical Sciences, Maysan, Iraq

    Yehya M. Ahmed

  7. Department of Chemistry, Payame Noor University, Tehran, Iran

    Maryam Derakhshandeh

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  1. Saade Abdalkareem Jasim
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  2. Ahmed M. Mohsen
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  3. Usama S. Altimari
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Correspondence to Ahmed M. Mohsen.

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Jasim, S.A., Mohsen, A.M., Altimari, U.S. et al. The CH3F and CH3Cl detection by the BeO nanotube in the presence of environmental gases. Monatsh Chem 153, 331–338 (2022). https://doi.org/10.1007/s00706-022-02907-x

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