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      Permanent link:
      https://www.ias.ac.in/article/fulltext/pram/096/0100

    • Keywords

       

      Density functional theory; mercaptopurine; sensor; AlP nanosheet; electronic properties.

    • Abstract

       

      The density functional B3LYP was utilised for scrutinising the effect of Pt-decoration on the sensing performance of an AlP nanosheet (AlPNS) in detecting mercaptopurine (MP). Pure AlPNS has a weak interaction with MP, and the sensing response is ∼ 2.4. There was an increase in the energy of adsorption (Ead) for MP from −6.2 to −24.1 kcal/mol when the surface of AlPNS was decorated with a Pt atom. There was also a dramatic increase in the sensing response to 77.4. The recovery time (RT) for the desorption of MP from the AlPNS surface that was decorated with Pt at 298 K was 36.4 s. The solvent H$_2$O decreased E$_{ad}$ for MP to −19.9 kcal/mol. These values suggest that AlPNS decorated with Pt can be used as an MP sensor because of its high sensitivity and shorter RT.

    • Author Affiliations

       

      A A MENAZEA1 2 NASSER S AWWAD3 HALA A IBRAHIUM4 5 H ELHOSINY ALI6

      1. Spectroscopy Department, Physics Research Institute, National Research Centre, Dokki, Giza 12622, Egypt
      2. Laser Technology Unit, National Research Centre, Dokki, Giza 12622, Egypt
      3. Chemistry Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia
      4. Biology Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia
      5. Department of Semi Pilot Plant, Nuclear Materials Authority, P.O. Box 530, El Maadi, Egypt
      6. Physics Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha61413, Saudi Arabia

    • Dates

       
      Published
      16 May 2022
      Manuscript received
      9 November 2021
      Manuscript revised
      14 December 2021
      Accepted
      17 December 2021
      Final version published online
      16 May 2022

    • Supplementary Material

       

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      Posted on July 25, 2019

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