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Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites

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Abstract

Polyvinyl Alcohol’s (PVA) Electronic Properties are improved by adding metal oxides and functional groups, allowing them to be used in various applications based on their electrical properties. As a result, the functionalization of PVA is modeled using density functional theory at M062x/6–311 + G(2d, p). As an adsorption state, five molecules with various functional groups bind with the PVA surface: hydroxyl group (OH), carboxyl group (COOH), cyanide (CN), amino group (NH2), and graphene quantum dots (GQDs). As a result, there is a shift in the overall dipole moment and the HOMO/LUMO bandgap energy. Also investigated is the molecular electrostatic potential (MESP). Because of the functionalization, the possibility of PVA creating hydrogen bonds with its surroundings is increased. Also, the molecular electrostatic potential (MESP) is investigated. Because of the functionalization, the possibility of PVA making hydrogen bonds with its surroundings is increased, as seen by the MESP maps. The PVA surface’s physical properties fluctuate, making it suitable for various applications. Finally, the researched structure was dedicated as a gas sensor using the proposed model of PVA functionalized with GQDs.

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Acknowledgements

The authors express their appreciation to the Deputyship for Research & Innovation, Ministry of Education, in Saudi Arabia, for funding this research work through the project number: (IFP-KKU-2020/10).

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Authors and Affiliations

  1. Physics Department, Faculty of Women for Arts, Science and Education, Ain Shams University, Cairo, 11757, Egypt

    Rania Badry, Asmaa Ibrahim, Fatma Gamal & Hanan Elhaes

  2. Laboratory of Nano-Smart Materials for Science and Technology (LNSMST), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi Arabia

    Ibrahim S. Yahia & Heba Y. Zahran

  3. Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia

    Ibrahim S. Yahia & Heba Y. Zahran

  4. Nanoscience Laboratory for Environmental and Biomedical Applications (NLEBA), Semiconductor Lab, Department of Physics, Faculty of Education, Ain Shams University, Roxy, Cairo, 11757, Egypt

    Ibrahim S. Yahia & Heba Y. Zahran

  5. National Authority for Remote Sensing & Space Sciences, 23 Joseph Tito Street, El-Nozha El-Gedida Alf Maskan, P.O. Box : 1564, Cairo, Egypt

    Mohamed Zahran

  6. Materials Science and Nanotechnology Department, Faculty of Postgraduate Studies for Advanced Sciences, Beni–Suef University, Beni Suef, 62511, Egypt

    Mohamed Sh. Abdel-wahab

  7. Nonlinear Dynamics Research Center (NDRC), Department of Mathematics and Sciences, Ajman University, Ajman, United Arab Emirates

    Samer H. Zyoud

  8. Molecular Spectroscopy and Modeling Unit, Spectroscopy Department, National Research Centre, 33 El-Bohouth St., Giza, 12622, Dokki, Egypt

    Medhat A. Ibrahim

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  1. Rania Badry
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  2. Asmaa Ibrahim
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  7. Mohamed Zahran
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  8. Mohamed Sh. Abdel-wahab
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Correspondence to Mohamed Sh. Abdel-wahab.

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Badry, R., Ibrahim, A., Gamal, F. et al. Design and implementation of low-cost gas sensor based on functionalized graphene quantum dot/Polyvinyl alcohol polymeric nanocomposites. Opt Quant Electron 55, 247 (2023). https://doi.org/10.1007/s11082-022-04510-0

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