A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet

Open Access

Year : 2025 | Volume : 13 | Special Issue 01 | Page : 801 809
    By

    Indranil Maity,

  • Souvik Bhanja,

  • Soubarno Chatterjee,

  1. Assistant Professor, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), University of Engineering and Management (UEM), Kolkata, West Bengal, India
  2. Student, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), Kolkata, West Bengal, India
  3. Student, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), Kolkata, West Bengal, India

Abstract

The present work concerns a detailed investigation of the enhanced formaldehyde (also known as methanal) detection by decorating the pristine (or bare) graphene nanosheet with silver (Ag) nano-particle (or foreign Ag atom). The bare graphene sheet was exposed to the formaldehyde vapor forming the formaldehyde-adsorbed pristine graphene sheet (taken as Case-I), and whose results were studied and compared with the outcomes obtained from the formaldehyde-adsorbed Ag-decorated graphene sheet (taken as Case-II). The design and modeling of the nanocomposites were derived through the Density Functional Theory (DFT) study, which was performed on the Gaussian 09W (for calculation purposes) and Gauss View 6.0 (for visualization purposes) platforms. The Highest Occupied Molecular Orbital (HOMO), and the Lowest Unoccupied Molecular Orbital (LUMO) have been analyzed along with their corresponding energy values to find the HOMO-LUMO gap for both Case-I, and Case-II. Adsorption energy was found to be stronger upon the introduction of Ag atom as a dopant into the graphene sheet. The charge density of the systems in Case-I and Case-II were revealed from the Electrostatic Potential (ESP) map, which provided information about the electron richness or deficiency of the surfaces. The band structure, plotted using the Materials Studio package, provided an insight into the semi-metallic nature of both Case-I and Case-II nanostructures. It was noticed that the binding distance between the formaldehyde and the graphene sheet got shortened in the case of Ag-decorated graphene. The above observations clearly infer that Ag-decorated graphene is a better alternative to pristine graphene for formaldehyde detection.

Keywords: Ag-decorated hybrid nanostructures, graphene based smart nanocomposites, modeling and simulation methodologies, high-performance sensing application, formaldehyde adsorption.

[This article belongs to Special Issue under section in Journal of Polymer and Composites (jopc)]

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How to cite this article:
Indranil Maity, Souvik Bhanja, Soubarno Chatterjee. A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet. Journal of Polymer and Composites. 2024; 13(01):801-809.
How to cite this URL:
Indranil Maity, Souvik Bhanja, Soubarno Chatterjee. A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet. Journal of Polymer and Composites. 2024; 13(01):801-809. Available from: https://journals.stmjournals.com/jopc/article=2024/view=188647


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Special Issue Open Access Original Research
Volume 13
Special Issue 01
Received 26/07/2024
Accepted 05/10/2024
Published 20/11/2024
Publication Time 117 Days
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