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Related Experiment Video

Updated: Jul 19, 2026

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

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

Metallopyrrole-capped carbon nanocones.

Stanislav R Stoyanov¹, Petr Kral

¹Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, USA.

The Journal of Physical Chemistry. B

|October 27, 2006

Summary

We designed novel nickel-doped and nitrogen-doped carbon nanocones with varied buckling. These metallocarbon complexes exhibit diverse coordination geometries and show potential for further functionalization.

Area of Science:

Materials Science
Computational Chemistry
Nanotechnology

Background:

Carbon nanocones are versatile nanostructures with tunable properties.
Metallocarbon complexes offer unique electronic and catalytic characteristics.

Purpose of the Study:

To design and characterize novel nickel-doped and nitrogen-doped carbon nanocones.
To investigate the influence of buckling on coordination geometries and electronic structures.
To explore the potential for further functionalization of these complexes.

Main Methods:

Density Functional Theory (DFT) calculations using B3LYP (Gaussian03) and GGA-BLYP (ADF) functionals.
Optimization of geometries and analysis of electronic structures.
Assessment of nanocone buckling and stability.

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

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Published on: June 1, 2016

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Last Updated: Jul 19, 2026

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

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

Published on: June 1, 2016

Main Results:

Successfully designed nickel- and nitrogen-doped carbon nanocones with varying degrees of buckling.
Identified square-planar, tetrahedral, and octahedral coordination environments for the metal center.
Analyzed the relationship between buckling, coordination, and electronic properties.

Conclusions:

The designed metallocarbon complexes are stable and exhibit diverse coordination modes.
Buckling significantly influences the structural and electronic properties of the nanocones.
These novel materials hold promise for applications requiring tailored metal coordination and further chemical modification.