Theoretical research on the electronic structure and transport properties of nitrogen doping chiral carbon nanotubes

Nitrogen-doped multi-walled carbon nanotubes (CNTs) containing 2.2 at.% of nitrogen were produced by hydrothermal treatment of oxygen-doped CNTs with urea and tested as electrode material for the supercapacitor with ionic liquid electrolyte. Cyclic voltammetry measurements showed a beneficial effect of nitrogen doping on the capacitance behavior of CNTs resulted from both the changes in their electronic structure and improved interaction between the electrode surface and electrolyte ions. The specific capacitance of nitrogen-doped CNTs was 2.6 times higher than that of pristine ones.

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Identification and separation of metallic and semiconducting carbon nanotubes

10.1093/oxfordhb/9780199533053.013.4 ◽

2017 ◽

Author(s):

Katalin Kamarás ◽

Àron Pekker

Keyword(s):

Carbon Nanotubes ◽

Raman Spectroscopy ◽

Electronic Structure ◽

Transport Properties ◽

Chemical Reactions ◽

Selection Methods ◽

Conductive Coatings ◽

Semiconducting Properties ◽

Transparent Conductive Coatings ◽

Semiconducting Behavior

This article describes the identification and separation of metallic and semiconducting carbon nanotubes according to their electric properties. It first provides an overview of the electronic structure of nanotubes, focusing on how their metallic and semiconducting properties arise. It then considers the most widely used characterization techniques used in determining metallic or semiconducting behavior, including Raman spectroscopy and photoluminescence measurements. It also discusses specific chirality-selective growth techniques, physical postgrowth selection methods, enrichment by chirality-sensitive chemical reactions, and modification of transport properties without change in chirality. The article concludes with a review of some applications of metallic and semiconducting carbon nanotubes as transparent conductive coatings.

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Structural Conductivity of Carbon Nanotubes

Revista de Chimie ◽

10.37358/rc.08.10.1991 ◽

2008 ◽

Vol 59 (10) ◽

pp. 1169-1171 ◽

Cited By ~ 2

Author(s):

Zoltan Borsos ◽

Viorel-Puiu Paun ◽

Irinel Casian Botez ◽

Cristina-Maria Stoica ◽

Petrica Vizureanu ◽

...

Keyword(s):

Carbon Nanotubes ◽

Fractal Dimension ◽

Electrical Properties ◽

Transport Properties ◽

Structural Form ◽

Structural Symmetry

In this paper, the explicit connection between the high structural symmetry of the carbon nanotubes and the electrical properties is studied. An interesting path effect on the transport properties will be proved. For a bidimensional lattice, the conductivity sx depends on the structural form, which determines the shape of electron path, respectively it is direct proportional to the fractal dimension of this path.

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Rectification in Chiral Carbon Nanotubes with Hot Electron Injection

Journal of Experimental and Theoretical Physics ◽

10.1134/s1063776120080099 ◽

2020 ◽

Vol 131 (3) ◽

pp. 456-459

Author(s):

S. S. Abukari ◽

R. Musah ◽

M. Amekpewu ◽

S. Y. Mensah ◽

N. G. Mensah ◽

...

Keyword(s):

Carbon Nanotubes ◽

Electron Injection ◽

Hot Electron ◽

Hot Electron Injection ◽

Chiral Carbon

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Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

Molecules ◽

10.3390/molecules26061586 ◽

2021 ◽

Vol 26 (6) ◽

pp. 1586

Author(s):

Leonor Contreras ◽

Ignacio Villarroel ◽

Camila Torres ◽

Roberto Rozas

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Drug Delivery Systems ◽

Nitrogen Doping ◽

Drug Carriers ◽

Acidic Ph ◽

Free Energies ◽

Interaction Forces ◽

Chiral Nanotubes ◽

Binding Free Energies

Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchair and zigzag CNTs with Stone–Wales (SW) defects to rank their ability to encapsulate DOX by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER16. We investigate also the chiral CNTs with haeckelite defects. Each haeckelite defect consists of a pair of square and octagonal rings. The armchair and zigzag CNT with SW defects and chiral nanotubes with haeckelite defects predict DOX-CNT interactions that depend on the length of the nanotube, the number of present defects and nitrogen doping. Chiral nanotubes having two haeckelite defects reveal a clear dependence on the nitrogen content with DOX-CNT interaction forces decreasing in the order 0N > 4N > 8N. These results contribute to a further understanding of drug-nanotube interactions and to the design of new drug delivery systems based on CNTs.

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