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Related Concept Videos

¹³C NMR: ¹H–¹³C Decoupling01:04

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The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
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Covalent bonds are formed between two atoms when both have similar tendencies to attract electrons to themselves (i.e., when both atoms have identical or fairly similar ionization energies and electron affinities). Nonmetal atoms frequently form covalent bonds with other nonmetal atoms. For example, the hydrogen molecule, H2, contains a covalent bond between its two hydrogen atoms. When two separate hydrogen atoms with a particular potential energy approach each other, their valence orbitals...
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Nitrogen segregation in nanocarbons.

C P Ewels1, D Erbahar, Ph Wagner

  • 1IMN, CNRS UMR6502, Universit de Nantes, 44300 Nantes, France. chris.ewels@cnrs-imn.fr.

Faraday Discussions
|December 4, 2014
PubMed
Summary
This summary is machine-generated.

Nitrogen doping in carbon nanomaterials favors substitutional doping at low concentrations. At higher levels, nitrogen forms zigzag edges, potentially on impurities rather than within the material itself.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Chemistry

Background:

  • Nitrogen doping is crucial for tuning carbon nanomaterial properties.
  • Understanding nitrogen incorporation mechanisms is key for advanced applications.

Purpose of the Study:

  • To investigate the behavior of nitrogen doping in carbon nanomaterials like graphene and nanotubes.
  • To elucidate the transition in nitrogen incorporation from substitutional to edge-terminated structures.

Main Methods:

  • Literature review of nitrogen doping in carbon.
  • Atomistic density functional theory (DFT) calculations.
  • Comparison with experimental spectroscopy data (EELS, X-ray).

Main Results:

  • Substitutional nitrogen doping is favored at low concentrations in sp(2)-C basal planes.
  • A critical nitrogen concentration (around 10-20%) triggers a transition to thermodynamically favored nitrogen-terminated zigzag edges.
  • Edge formation is enhanced by partial functionalization (e.g., with hydrogen).
  • Observed nitrogen in carbon nanoobjects may originate from surface impurities.

Conclusions:

  • The transition to edge formation is a general property of nitrogen-doped carbon materials above a critical concentration.
  • Nitrogen termination of edges, possibly on impurities, is a significant incorporation pathway.
  • This finding impacts the interpretation of experimental data and the design of nitrogen-doped carbon materials.