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Appl. Nano, Volume 6, Issue 3 (September 2025) – 2 articles

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13 pages, 4458 KiB  
Article
Effect of Vacancy Defect on Mechanical Properties of Single Wall Carbon Nanotube
by Nachiket S. Makh and Ajit D. Kelkar
Appl. Nano 2025, 6(3), 12; https://doi.org/10.3390/applnano6030012 - 27 Jun 2025
Viewed by 318
Abstract
Carbon nanotubes (CNTs) are cylindrical nanostructures formed by rolling a graphene sheet—a hexagonal lattice of carbon atoms—into a tube. Based on the rolling direction, CNTs are categorized as armchair, zigzag, or chiral. The chiral vector, derived from the graphene lattice, defines the CNT’s [...] Read more.
Carbon nanotubes (CNTs) are cylindrical nanostructures formed by rolling a graphene sheet—a hexagonal lattice of carbon atoms—into a tube. Based on the rolling direction, CNTs are categorized as armchair, zigzag, or chiral. The chiral vector, derived from the graphene lattice, defines the CNT’s structure, with chiral CNTs denoted by indices (n, m), where m > 0 and m ≠ n. The mechanical properties and structural stability of CNTs are highly sensitive to defects and impurities within their atomic framework. Among these, point defects such as single-atom vacancies are the most prevalent and can significantly degrade mechanical performance. These defects alter stress distribution, reduce stiffness, and impair strength, thereby limiting the functional reliability of CNTs in advanced applications such as nanocomposites, sensors, and electronic devices. This study examines the influence of vacancy defects on CNT mechanical behavior through a multiscale modeling framework. Molecular dynamics (MD) simulations are conducted using LAMMPS, with structural visualization via Visual Molecular Dynamics (VMD). Concurrently, a finite element (FE) model is developed in ANSYS, where the CNT is idealized as a space frame of elastic beam elements representing carbon–carbon bonds. The integration of atomistic and continuum approaches offers a comprehensive understanding of defect-induced mechanical degradation. The MD and FEM results are in strong agreement with findings in existing literature, validating the adopted methodology. These findings contribute valuable insights into the design and optimization of CNT-based materials for high-performance engineering applications. Full article
(This article belongs to the Collection Feature Papers for Applied Nano)
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21 pages, 4516 KiB  
Article
Exploring the Electrochemical Signatures of Heavy Metals on Synthetic Melanin Nanoparticle-Coated Electrodes: Synthesis and Characterization
by Mohamed Hefny, Rasha Gh. Orabi, Medhat M. Kamel, Haitham Kalil, Mekki Bayachou and Nasser Y. Mostafa
Appl. Nano 2025, 6(3), 11; https://doi.org/10.3390/applnano6030011 - 23 Jun 2025
Viewed by 452
Abstract
This study investigates the development and sensing profile of synthetic melanin nanoparticle-coated electrodes for the electrochemical detection of heavy metals, including lead (Pb), cadmium (Cd), cobalt (Co), zinc (Zn), nickel (Ni), and iron (Fe). Synthetic melanin films were prepared in situ by the [...] Read more.
This study investigates the development and sensing profile of synthetic melanin nanoparticle-coated electrodes for the electrochemical detection of heavy metals, including lead (Pb), cadmium (Cd), cobalt (Co), zinc (Zn), nickel (Ni), and iron (Fe). Synthetic melanin films were prepared in situ by the deacetylation of diacetoxy indole (DAI) to dihydroxy indole (DHI), followed by the deposition of DHI monomers onto indium tin oxide (ITO) and glassy carbon electrodes (GCE) using cyclic voltammetry (CV), forming a thin layer of synthetic melanin film. The deposition process was characterized by electrochemical quartz crystal microbalance (EQCM) in combination with linear sweep voltammetry (LSV) and amperometry to determine the mass and thickness of the deposited film. Surface morphology and elemental composition were examined using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). In contrast, Fourier-transform infrared (FTIR) and UV–Vis spectroscopy confirmed the melanin’s chemical structure and its polyphenolic functional groups. Differential pulse voltammetry (DPV) and amperometry were employed to evaluate the melanin films’ electrochemical activity and sensitivity for detecting heavy metal ions. Reproducibility and repeatability were rigorously assessed, showing consistent electrochemical performance across multiple electrodes and trials. A comparative analysis of ITO, GCE, and graphite electrodes was conducted to identify the most suitable substrate for melanin film preparation, focusing on stability, electrochemical response, and metal ion sensing efficiency. Finally, the applicability of melanin-coated electrodes was tested on in-house heavy metal water samples, exploring their potential for practical environmental monitoring of toxic heavy metals. The findings highlight synthetic melanin-coated electrodes as a promising platform for sensitive and reliable detection of iron with a sensitivity of 106 nA/ppm and a limit of quantification as low as 1 ppm. Full article
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