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Related Experiment Video

Updated: Jun 22, 2026

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
09:12

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering

Published on: June 1, 2016

Hydrogenated double wall carbon nanotubes.

Pablo A Denis1, Federico Iribarne, Ricardo Faccio

  • 1Computational Nanotechnology, DETEMA, Facultad de Química, UDELAR, CC 1157, 11800 Montevideo, Uruguay. pablod@fq.edu.uy

The Journal of Chemical Physics
|May 27, 2009
PubMed
Summary
This summary is machine-generated.

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Hydrogen chemisorption on double wall carbon nanotubes (DWCNTs) was studied. Interlayer interactions affect inner tube band structure, with minimal changes at high hydrogen coverage, aligning with experimental findings.

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Nanotechnology

Background:

  • Carbon nanotubes (CNTs) exhibit unique electronic properties.
  • Hydrogenation significantly alters CNT electronic structures.
  • Double-wall carbon nanotubes (DWCNTs) present complex interactions.

Purpose of the Study:

  • Investigate hydrogen chemisorption on DWCNTs.
  • Determine the influence of interlayer interactions on electronic properties.
  • Correlate hydrogenation coverage with structural and electronic changes.

Main Methods:

  • Density Functional Theory (DFT) calculations.
  • Periodic boundary conditions for modeling.
  • Analysis of binding energies and electronic band structures.

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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
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Last Updated: Jun 22, 2026

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
09:12

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering

Published on: June 1, 2016

Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes
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Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes

Published on: February 19, 2016

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08:40

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

Main Results:

  • Small diameter DWCNTs favor specific (n,m)@(n+9,m) configurations.
  • C-H binding energies are similar for single-wall and double-wall CNTs.
  • Interlayer interactions modify the inner tube's band structure.
  • Inner tube electronic structure shows minimal change at high (50%) hydrogen coverage.
  • Band gap of zigzag single-wall carbon nanotubes (SWCNTs) increases with hydrogenation.

Conclusions:

  • Electronic properties of inner tubes in heavily functionalized DWCNTs remain largely unchanged.
  • Hydrogenation coverage can potentially be determined by measuring C-H vibrational modes.
  • DFT provides insights into hydrogen-DWCNT interactions and electronic behavior.