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Related Experiment Video

Updated: May 28, 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

CONAN Build: Building Functionalized or Doped Carbon Nanomaterials.

Kai Buchmüller1, Leonard Dick1, Sarah Volkamer2

  • 1Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Beringstr. 4 + 6, Bonn D-53115, Germany.

Journal of Chemical Information and Modeling
|May 26, 2026
PubMed
Summary
This summary is machine-generated.

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CONAN-build, a new tool, allows interactive construction of nanoporous materials for energy storage. Functionalizing pore entrances with carboxylate groups enhances cation selectivity, improving supercapacitor performance.

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Nanotechnology

Background:

  • Optimizing nanoporous materials is crucial for advanced energy storage devices like supercapacitors.
  • Precise control over nanoscale structure is key to enhancing material performance.
  • Existing tools may lack interactive capabilities for complex nanostructure design.

Purpose of the Study:

  • Introduce CONAN-build, an extension of the CONAN tool, for interactive construction of nanostructures.
  • Enable users to design functionalized carbon nanotubes and nanoporous carbons for simulation.
  • Demonstrate the utility of CONAN-build in modifying material properties for energy storage applications.

Main Methods:

  • Developed CONAN-build, a molecular dynamics analysis tool with command-line and graphical interfaces.

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Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures
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Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures

Published on: July 2, 2012

Related Experiment Videos

Last Updated: May 28, 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

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

Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures
09:23

Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures

Published on: July 2, 2012

  • Enabled interactive building of pristine materials, defect addition, and doping.
  • Conducted a case study using 1-ethyl-3-methylimidazolium tetrafluoroborate confined in carbon nanotubes.

    • Main Results:

    • CONAN-build facilitates interactive design of functionalized nanoporous materials.
    • Functionalization with carboxylate groups at pore entrances created cation selectivity.
    • The observed cation selectivity was pore-size dependent, being diminished in larger pores.

    Conclusions:

    • Surface functionalization near pore entrances is an effective strategy for tuning electrochemical properties.
    • CONAN-build provides a versatile platform for designing and simulating advanced nanoporous materials.
    • This approach can lead to improved performance in supercapacitors and other energy-storage devices.