Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters

A new frontier in tuning the electromagnetic response of carbon-based materials, particularly carbon nanotubes, consists in adding metallic clusters or nanoparticles at their external surface. This allows to change optical, dielectric and magnetic properties with potential applications in electronic...

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Main Authors: Icare Morrot-Woisard, Emile K. Nguyen, Nicolas Vukadinovic, Mauro Boero
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Carbon Trends
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667056924000919
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author Icare Morrot-Woisard
Emile K. Nguyen
Nicolas Vukadinovic
Mauro Boero
author_facet Icare Morrot-Woisard
Emile K. Nguyen
Nicolas Vukadinovic
Mauro Boero
author_sort Icare Morrot-Woisard
collection DOAJ
description A new frontier in tuning the electromagnetic response of carbon-based materials, particularly carbon nanotubes, consists in adding metallic clusters or nanoparticles at their external surface. This allows to change optical, dielectric and magnetic properties with potential applications in electronics and telecommunications for aeronautics. By resorting to first principles dynamical simulations, we provide a microscopic picture of the interaction at finite temperature between a carbon nanotube and Co aggregates mimicking the experimental coverage. The electronic structure evolution provides the absorption spectrum and the dielectric function for comparison with experiments and guidelines for tuning these composite systems.
format Article
id doaj-art-b6f85a1d8a1f488c8b44a09b54fc1cdf
institution OA Journals
issn 2667-0569
language English
publishDate 2024-12-01
publisher Elsevier
record_format Article
series Carbon Trends
spelling doaj-art-b6f85a1d8a1f488c8b44a09b54fc1cdf2025-08-20T02:37:52ZengElsevierCarbon Trends2667-05692024-12-011710041010.1016/j.cartre.2024.100410Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclustersIcare Morrot-Woisard0Emile K. Nguyen1Nicolas Vukadinovic2Mauro Boero3University of Strasbourg - CNRS, Institut de Physique et Chimie des Matériaux de Strasbourg UMR 7504, 23 rue du Loess, 67034 Strasbourg, FranceUniversity of Strasbourg - CNRS, Institut de Physique et Chimie des Matériaux de Strasbourg UMR 7504, 23 rue du Loess, 67034 Strasbourg, FranceDassault Aviation, 78 quai Marcel Dassault, 92552 Saint-Cloud, FranceUniversity of Strasbourg - CNRS, ICube Laboratory UMR 7357, 23 rue du Loess, 67037 Strasbourg, France; Corresponding author.A new frontier in tuning the electromagnetic response of carbon-based materials, particularly carbon nanotubes, consists in adding metallic clusters or nanoparticles at their external surface. This allows to change optical, dielectric and magnetic properties with potential applications in electronics and telecommunications for aeronautics. By resorting to first principles dynamical simulations, we provide a microscopic picture of the interaction at finite temperature between a carbon nanotube and Co aggregates mimicking the experimental coverage. The electronic structure evolution provides the absorption spectrum and the dielectric function for comparison with experiments and guidelines for tuning these composite systems.http://www.sciencedirect.com/science/article/pii/S2667056924000919Carbon nanotubesCobalt nanoparticlesDielectric responseDensity functional theoryFirst principles molecular dynamics
spellingShingle Icare Morrot-Woisard
Emile K. Nguyen
Nicolas Vukadinovic
Mauro Boero
Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
Carbon Trends
Carbon nanotubes
Cobalt nanoparticles
Dielectric response
Density functional theory
First principles molecular dynamics
title Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
title_full Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
title_fullStr Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
title_full_unstemmed Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
title_short Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
title_sort structural electronic and dielectric properties of carbon nanotubes interacting with co nanoclusters
topic Carbon nanotubes
Cobalt nanoparticles
Dielectric response
Density functional theory
First principles molecular dynamics
url http://www.sciencedirect.com/science/article/pii/S2667056924000919
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AT nicolasvukadinovic structuralelectronicanddielectricpropertiesofcarbonnanotubesinteractingwithconanoclusters
AT mauroboero structuralelectronicanddielectricpropertiesofcarbonnanotubesinteractingwithconanoclusters