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Investigation of Doping Effects and Defects in Chiral Carbon Nanotubes

Thaizy Carlos Nossa, Paulo José Pereira De Oliveira report the findings of this research. Carbon nanotubes are allotropes of carbon and are 1D nanomaterials with various applications, including their use as sensors, in composites, and even as drug delivery vectors. In t...

Thaizy Carlos Nossa, Paulo José Pereira De Oliveira
Article | 01/01/2026
Investigation of Doping Effects and Defects in Chiral Carbon Nanotubes

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Advanced Materials Letters Volume 1, Issue 1 Cover Page
Volume 1, Issue 1 • 2026

Advance Material Letters

Carbon nanotubes are allotropes of carbon and are 1D nanomaterials with various applications, including their use as sensors, in composites, and even as drug delivery vectors. In this study, we employed density functional theory with a local density approximation, implemented in the SIESTA software, to analyze the electrical properties of the chiral (6,3) carbon nanotube containing 48 carbon atoms. We performed studies on energy bands and total and partial density of states. Systems doped with Boron and Nitrogen were investigated, as well as simulations of defects (vacancies). Our results indicate that the nanotube exhibits semiconducting behavior with a bandgap of 0.115 eV. However, after the inclusion of Nitrogen, Boron, and vacancy impurities

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Graphical abstract for Investigation of Doping Effects and Defects in Chiral Carbon Nanotubes
Research Article
Vol. 17, Issue 1 • 2026 • Pages: 2601-1779

Investigation of Doping Effects and Defects in Chiral Carbon Nanotubes

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Carbon nanotubes are allotropes of carbon and are 1D nanomaterials with various applications, including their use as sensors, in composites, and even as drug delivery vectors. In this study, we employed density functional theory with a local density approximation, implemented in the SIESTA software, to analyze the electrical properties of the chiral (6,3) carbon nanotube containing 48 carbon atoms. We performed studies on energy bands and total and partial density of states. Systems doped with Boron and Nitrogen were investigated, as well as simulations of defects (vacancies). Our results indicate that the nanotube exhibits semiconducting behavior with a bandgap of 0.115 eV. However, after the inclusion of Nitrogen, Boron, and vacancy impurities, its character changes to metallic, with energy bands crossing the Fermi level. The density of states analysis revealed that the carbon 2p orbitals contribute the most to charge mobility compared to the 2p orbitals of Boron and Nitrogen, and al

Graphical abstract for Dielectric Studies on Dendrite-shaped PbTe, Rod-shaped SnTe and their Nanocomposite
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Graphical abstract for An Interesting Material: Auxetic Metamaterial
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Vol. 16, Issue 1 • 2025 • Pages: 2501-1767

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Graphical abstract for Facile Synthesis of Disordered Graphitic Charcoal by Direct Pyrolysis of Mustard Oil Cake and Sugarcane Bagasse
Research Article
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Research Article
Vol. 16, Issue 1 • 2025 • Pages: 2501-1769

Use of Nano Silica Sol for Performance Improvement of Marine Cement-Based Mortar

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