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Network Covalent Solids02:18

Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems
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A one-dimensional extremely covalent material: monatomic carbon linear chain.

Yaozhong Zhang1, Yanjie Su, Liang Wang

  • 1Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Research Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240, China. yfzhang@sjtu.edu.cn.

Nanoscale Research Letters
|November 2, 2011
PubMed
Summary

Infinite carbon chains, polyyne and cumulene, exhibit distinct electronic properties. Polyyne is a semiconductor with high stiffness and mobility, surpassing carbon nanotubes.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • One-dimensional (1D) carbon allotropes like carbon nanotubes are extensively studied for their unique properties.
  • Understanding the fundamental behavior of simpler 1D carbon structures is crucial for designing novel materials.

Purpose of the Study:

  • To investigate the electronic and mechanical properties of infinite-length polyyne and cumulene chains.
  • To compare these properties with those of single-walled carbon nanotubes.

Main Methods:

  • First-principles calculations were employed to model and analyze the behavior of polyyne and cumulene.
  • Electronic band structures and mechanical properties (Young's modulus) were computed.

Main Results:

  • Infinite polyyne chains were found to be semiconducting with a band gap of 1.859 eV.
  • Infinite cumulene chains were predicted to be metallic.
  • Polyyne exhibits an exceptionally high Young's modulus (1.304 TPa), exceeding that of carbon nanotubes.
  • Cumulene has an estimated Young's modulus of 760.78 GPa.
  • Polyyne is predicted to be a 1D material with very high electronic mobility.

Conclusions:

  • Infinite polyyne and cumulene represent distinct 1D carbon materials with unique electronic and mechanical characteristics.
  • Polyyne stands out as a potentially superior material for applications requiring high stiffness and high charge carrier mobility.
  • These findings provide theoretical insights into the potential of simple 1D carbon chains for advanced material applications.