Open Access
This is an unedited manuscript accepted for publication and provided as an Article in Press for early access at the author’s request. The article will undergo copyediting, typesetting, and galley proof review before final publication. Please be aware that errors may be identified during production that could affect the content. All legal disclaimers of the journal apply.
Indranil Maity,
Souvik Bhanja,
Soubarno Chatterjee,
- Supervisor, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), University of Engineering and Management (UEM), Kolkata, West Bengal, India
- Student, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), Kolkata, West Bengal, India
- Student, Department of Electronics and Communication Engineering (ECE), Institute of Engineering and Management (IEM), Kolkata, West Bengal, India
Abstract document.addEventListener(‘DOMContentLoaded’,function(){frmFrontForm.scrollToID(‘frm_container_abs_127125’);});Edit Abstract & Keyword
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 modelling of the nanocomposites were derived through the density functional theory (DFT) study, which was performed on the Gaussian 09W (for calculation purposes) and GaussView 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, modelling and simulation methodologies, high-performance sensing application, formaldehyde adsorption
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; ():-.
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; ():-. Available from: https://journals.stmjournals.com/jopc/article=2024/view=0
References
document.addEventListener(‘DOMContentLoaded’,function(){frmFrontForm.scrollToID(‘frm_container_ref_127125’);});Edit
1. Badran HM, Eid KM, Al-Nadary HO, Ammar HY. Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations. Journal of Molecular Liquids. 2023 Sep 1; 385: 122430. 2. Wang Z, Huang Z, Yu J, Shao X, Peng W, Yu J, Jiang Y. Growth of Ag/g-C 3 N 4 nanocomposites on nickel foam to enhance photocatalytic degradation of formaldehyde under visible light. Journal of Environmental Sciences. 2024 Mar 1; 137: 432-42. 3. Zhang Y, Qiu X, Sun L, Yan Q, Luck RL, Liu H. A two-photon fluorogenic probe based on acoumarin schiff base for formaldehyde detection in living cells. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2022 Jun 5; 274: 121074.
Journal of Polymer and Composites
| Volume | |
| Received | 26/07/2024 |
| Accepted | 05/10/2024 |
| Published | 10/12/2024 |