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The Development of Chemical Sensing Applications of Carbon Nanomaterials

A special issue of Sensors (ISSN 1424-8220). This special issue belongs to the section "Chemical Sensors".

Deadline for manuscript submissions: closed (15 December 2024) | Viewed by 1188

Special Issue Editor


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Guest Editor
Naval Research Laboratory, Washington, DC, USA
Interests: MEMS/NEMS; nanomaterials; chemical sensing; microfluidics; additive manufacturing

Special Issue Information

Dear Colleagues,

Carbon nanomaterials, with their unique properties such as a high surface-to-volume ratio, excellent electrical and thermal conductivity, and outstanding mechanical and chemical stability, have the potential to revolutionize chemical sensing technologies across various industries. Notable examples of carbon nanomaterials include carbon nanotubes, graphene, fullerenes, carbon nanofibers, carbon nanodiamonds, and other carbonaceous materials at nanoscale. This Special Issue, entitled "The Development of Chemical Sensing Applications of Carbon Nanomaterials", focuses on the latest advancements and innovations related to the synthesis and characterization of novel carbon nanomaterials, the design and fabrication of carbon nanomaterial-based sensors, and understanding sensing mechanisms. A particular emphasis will be placed on industry-relevant and emerging sensing applications in energy and environmental monitoring, the food industry, biomedical sectors, and military and security sectors. This Special Issue provides a comprehensive platform for researchers and scientists to share their findings and stimulate further research and collaboration.

We invite submissions of original research articles, review papers, short communications, and perspectives that provide new insights and cutting-edge developments related to the theme of this Special Issue. The aim is to stimulate interdisciplinary research and collaboration to address current challenges and advance the field towards the development of next-generation chemical sensing technologies in these critical sectors.

The scope of this Special Issue encompasses, but is not limited to, the following areas:

  • Chemical sensing applications—energy and environmental monitoring, food industry, biomedical sectors, military and security sectors, etc.;
  • Synthesis, characterization, and sensing mechanisms of carbon nanomaterials—new, hybrid, or composite materials, as well as existing carbon nanomaterials;
  • Design, fabrication, and performance optimization of carbon nanomaterial-based sensors;
  • Computational studies and theoretical modeling aimed at understanding and predicting the properties and performance of carbon nanomaterials in the context of the targeted sensing applications;
  • Identification of current challenges, bottlenecks, and future directions, opportunities, and potential breakthroughs in the development of carbon nanomaterial-based sensors.

Dr. Junghoon Yeom
Guest Editor

Manuscript Submission Information

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Published Papers (1 paper)

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14 pages, 4225 KiB  
Article
Hybrid Materials Based on Carbon Nanotubes and Tetra- and Octa-Halogen-Substituted Zinc Phthalocyanines: Sensor Response Toward Ammonia from the Quantum-Chemical Point of View
by Pavel Krasnov, Victoria Ivanova, Darya Klyamer, Dmitry Bonegardt, Aleksandr Fedorov and Tamara Basova
Sensors 2025, 25(1), 149; https://doi.org/10.3390/s25010149 - 30 Dec 2024
Viewed by 702
Abstract
This paper presents the results of quantum-chemical modeling performed by the Density Functional-Based Tight Binding (DFTB) method to investigate the change in the band structure of hybrid materials based on carbon nanotubes and unsubstituted, tetra-, or octa-halogen-substituted zinc phthalocyanines upon the adsorption of [...] Read more.
This paper presents the results of quantum-chemical modeling performed by the Density Functional-Based Tight Binding (DFTB) method to investigate the change in the band structure of hybrid materials based on carbon nanotubes and unsubstituted, tetra-, or octa-halogen-substituted zinc phthalocyanines upon the adsorption of ammonia molecules. The study showed that the electrical conductivity of these materials and its changes in the case of interaction with ammonia molecules depend on the position of the impurity band formed by the orbitals of macrocycle atoms relative to the forbidden energy gap of the hybrids. The sensor response of the hybrids containing halogenated phthalocyanines was lower by one or two orders of magnitude, depending on the number of substituents, compared to the hybrid with unsubstituted zinc phthalocyanine. This result was obtained by calculations performed using the nonequilibrium Green’s functions (NEGF) method, which demonstrated a change in the electrical conductivity of the hybrids upon the adsorption of ammonia molecules. The analysis showed that in order to improve the sensor characteristics of CNT-based hybrid materials, preference should be given to those phthalocyanines in which substituents contribute to an increase in HOMO energy relative to the unsubstituted macrocycles. Full article
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