Nanomaterials in Sensing Applications

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Nanoelectronics, Nanosensors and Devices".

Deadline for manuscript submissions: closed (30 June 2023) | Viewed by 2265

Special Issue Editor

1. Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia
2. Functional Nanotechnology Devices Laboratory, Institute of Nanoscience and Nanotechnology (ION2), Universiti Putra Malaysia, Serdang 43400, Malaysia
Interests: optical sensor; structural and optical studies; nanomaterials; thin film; surface plasmon resonance
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The study of various nanostructures and nanocomposites for sensing applications has received a tremendous amount of attention from the scientific community in recent years. The incorporation of different nanomaterials with various types of sensors (including biosensors, chemical sensors, physical sensors, and optical sensors) can enhance sensing performance in terms of sensitivity and detection limits. Nanomaterials-based sensors can be applied to various fields, ranging from medical diagnosis to environmental monitoring.

This Special Issue will cover various topics, ranging from synthesis and characterization to sensing application of various types of nanostructures, and nanomaterials. or nanocomposites. The Special Issue will cover, but not be limited to, the following sensing applications:

  • Biochemical substances;
  • Virus or bacteria;
  • Medical diagnosis;
  • Biomedicine;
  • Environmental pollutants;
  • Ions;
  • Biomolecules;
  • Organic compounds.

Biosensors, chemical sensors, physical sensors, and optical sensors based on different types of nanomaterials are welcomed.

Prof. Dr. Yap Wing Fen
Guest Editor

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • quantum dots
  • nanoparticles
  • carbon-based nanostructures
  • biosensors
  • chemical sensors
  • optical sensors
  • gas sensors
  • surface plasmon resonance
  • environmental monitoring
  • biological and food analysis

Published Papers (2 papers)

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Research

20 pages, 5628 KiB  
Article
Covalent Triazine Framework C6N6 as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study
by Hassan H. Hammud, Muhammad Yar, Imene Bayach and Khurshid Ayub
Nanomaterials 2023, 13(6), 1121; https://doi.org/10.3390/nano13061121 - 21 Mar 2023
Cited by 3 | Viewed by 1392
Abstract
Industrial pollutants pose a serious threat to ecosystems. Hence, there is a need to search for new efficient sensor materials for the detection of pollutants. In the current study, we explored the electrochemical sensing potential of a C6N6 sheet for [...] Read more.
Industrial pollutants pose a serious threat to ecosystems. Hence, there is a need to search for new efficient sensor materials for the detection of pollutants. In the current study, we explored the electrochemical sensing potential of a C6N6 sheet for H-containing industrial pollutants (HCN, H2S, NH3 and PH3) through DFT simulations. The adsorption of industrial pollutants over C6N6 occurs through physisorption, with adsorption energies ranging from −9.36 kcal/mol to −16.46 kcal/mol. The non-covalent interactions of analyte@C6N6 complexes are quantified by symmetry adapted perturbation theory (SAPT0), quantum theory of atoms in molecules (QTAIM) and non-covalent interaction (NCI) analyses. SAPT0 analyses show that electrostatic and dispersion forces play a dominant role in the stabilization of analytes over C6N6 sheets. Similarly, NCI and QTAIM analyses also verified the results of SAPT0 and interaction energy analyses. The electronic properties of analyte@C6N6 complexes are investigated by electron density difference (EDD), natural bond orbital analyses (NBO) and frontier molecular orbital analyses (FMO). Charge is transferred from the C6N6 sheet to HCN, H2S, NH3 and PH3. The highest exchange of charge is noted for H2S (−0.026 e). The results of FMO analyses show that the interaction of all analytes results in changes in the EH-L gap of the C6N6 sheet. However, the highest decrease in the EH-L gap (2.58 eV) is observed for the NH3@C6N6 complex among all studied analyte@C6N6 complexes. The orbital density pattern shows that the HOMO density is completely concentrated on NH3, while the LUMO density is centred on the C6N6 surface. Such a type of electronic transition results in a significant change in the EH-L gap. Thus, it is concluded that C6N6 is highly selective towards NH3 compared to the other studied analytes. Full article
(This article belongs to the Special Issue Nanomaterials in Sensing Applications)
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24 pages, 5632 KiB  
Article
Efficient Detection of Nerve Agents through Carbon Nitride Quantum Dots: A DFT Approach
by Yasair S. S. Al-Faiyz, Sehrish Sarfaraz, Muhammad Yar, Sajida Munsif, Adnan Ali Khan, Bin Amin, Nadeem S. Sheikh and Khurshid Ayub
Nanomaterials 2023, 13(2), 251; https://doi.org/10.3390/nano13020251 - 06 Jan 2023
Cited by 12 | Viewed by 1690
Abstract
V-series nerve agents are very lethal to health and cause the inactivation of acetylcholinesterase which leads to neuromuscular paralysis and, finally, death. Therefore, rapid detection and elimination of V-series nerve agents are very important. Herein, we have carried out a theoretical investigation of [...] Read more.
V-series nerve agents are very lethal to health and cause the inactivation of acetylcholinesterase which leads to neuromuscular paralysis and, finally, death. Therefore, rapid detection and elimination of V-series nerve agents are very important. Herein, we have carried out a theoretical investigation of carbon nitride quantum dots (C2N) as an electrochemical sensor for the detection of V-series nerve agents, including VX, VS, VE, VG, and VM. Adsorption of V-series nerve agents on C2N quantum dots is explored at M05-2X/6-31++G(d,p) level of theory. The level of theory chosen is quite adequate in systems describing non-bonding interactions. The adsorption behavior of nerve agents is characterized by interaction energy, non-covalent interaction (NCI), Bader’s quantum theory of atoms in molecules (QTAIM), frontier molecular orbital (FMO), electron density difference (EDD), and charge transfer analysis. The computed adsorption energies of the studied complexes are in the range of −12.93 to −17.81 kcal/mol, which indicates the nerve agents are physiosorbed onto C2N surface through non-covalent interactions. The non-covalent interactions between V-series and C2N are confirmed through NCI and QTAIM analysis. EDD analysis is carried out to understand electron density shifting, which is further validated by natural bond orbital (NBO) analysis. FMO analysis is used to estimate the changes in energy gap of C2N on complexation through HOMO-LUMO energies. These findings suggest that C2N surface is highly selective toward VX, and it might be a promising candidate for the detection of V-series nerve agents. Full article
(This article belongs to the Special Issue Nanomaterials in Sensing Applications)
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