Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube.

Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube. Research Abstract Details 

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Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube. Abstract Text:

We present a theoretical study of a new hybrid material, nanostructured polymeric nitrogen, where a polymeric nitrogen chain is encapsulated in a carbon nanotube. The electronic and structural properties of the new system are studied by means of ab initio electronic structure and molecular dynamics calculations. Finite temperature simulations demonstrate the stability of this nitrogen phase at ambient pressure and room temperature using carbon nanotube confinement. This nanostructured confinement may open a new path towards stabilizing polynitrogen or polymeric nitrogen at ambient conditions.

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Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Physical review letters

VOLUME: 100

Page Numbers: 196401

Journal Abbreviation: Phys. Rev. Lett.

ISSN: 0031-9007

DAY: 13

MONTH: 05

YEAR: 2008

Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube. Information

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LANGUAGE: eng

NlmUniqueID: 401141

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AFFILIATION: Defence R&D-Canada, Valcartier 2459 Blv. Pie-XI North, Quebec, QC, Canada, G3J 1X5.

Country: United States

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MEDLINETA: Phys Rev Lett

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