Novel Nanoscale High Energetic Materials: Nanostructured Polymeric Nitrogen and Polynitrogen

Abou‐Rachid, Hakima; Hu, Amanda; Arato, David; Sun, Xueliang; Désilets, S.

doi:10.1615/intjenergeticmaterialschemprop.v7.i5.10

Cited by 5 publications

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“…Alternatively, it would be more promising using nitrogen-rich energetic compounds, such as 3,6diazido-1,2,4,5-tetrazine and 4,4',6,6'-tetraazido-2,2'-azo-1,3,5-triazine compounds, for a non-CVD synthesis of carbon nanotubes [18], since thermal decomposition of these compounds yields nitrogen-rich nanolayered, nanoclustered, and nanodendritic carbon nitrides, depending on the different heating processes [19]. Our simulations have shown that nitrogen-rich compounds can be formed in carbon nanotubes [17]. A laser ablation process used in the growth of carbon nanotubes may be also another alternative for the synthesis of this novel system [20].…”

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confidence: 82%

“…However, recently developed chemical vaporization deposition (CVD) methods to synthesize nitrogen doped carbon nanotubes (CN x ) may be feasible [16]. We have carried out some studies on this field [17] and nitrogen doped bamboo-liked structures of carbon nanotubes were found. To increase nitrogen doping percent may have more opportunities to form polymeric nitrogen or polynitrogen in general.…”

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confidence: 99%

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Nanoscale High Energetic Materials: A Polymeric Nitrogen ChainN8Confined inside a Carbon Nanotube

Hu²,

et al. 2008

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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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confidence: 82%

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confidence: 99%

Nanoscale High Energetic Materials: A Polymeric Nitrogen ChainN8Confined inside a Carbon Nanotube

Hu²,

et al. 2008

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“…Another approach was proposed by Canadian researchers who proposed to dope or encapsulate carbon nanotubes with N 4 and N 8 polynitrogen compounds. It was originally suggested that N 4 compound could be included in a nanotube wall (doping), and N 8 compound encapsulated inside a tube [48].…”

Section: Theoretical Studiesmentioning

confidence: 99%

“…An original method of synthesis and preservation of polynitrogen compounds has been developed by Canadian researchers [48]. The method is based on using chemical vapor deposition (CVD) to produce nitrogendoped carbon nanotubes.…”

Section: Doping Of Carbon Nanotubesmentioning

confidence: 99%

Searching for ways to create energetic materials based on polynitrogen compounds (review)

Зарко

2010

Combust Explos Shock Waves

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Polynitrogen compounds (containing only nitrogen atoms) are promising candidates as energetic materials for rocket engineering. The high energy content of these compounds is due to the significant difference in bond energy between nitrogen atoms. In particular, molecular nitrogen (N 2 ) is characterized by a uniquely strong triple bond -229 kcal/mole, whereas the single-bond energy is only 38.4 kcal/mole. From theoretical estimates, use of polynitrogen compounds can provide a specific impulse of 350-500 sec with material density in a range of 2.0-3.9 g/cm 3 . This paper gives a brief review of the current status of experimental and theoretical studies in the chemistry of polynitrogen compounds.

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“…Recently, Hirshberg [11]has theoretically predicted a novel metastable molecular crystal at ambient pressure, which is consisting of N 8 molecules. In addition, in 2008 Abou-Rachid et al [12,13] theoretically proposed that, the polymeric nitrogen N 8 as a chain could be encapsulated in the carbon nanotubes confinement at ambient pressure and room temperature. In 2014, Wang et al [14].…”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Study on the Encapsulation of a Polymeric Nitrogen N8 Chain inside Boron Nitride Nanotube

Feng¹

2016

Proceedings of the 2015 2nd International Conference on Machinery, Materials Engineering, Chemical Engineering and Biotechnolog

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Abstract.A new nanoscale hybrid material, where a nitrogen chain N 8 is encapsulated inside a boron nitride nanotube, is studied by density Functional theory (DFT). The structure, NBO charges, binding energy and electronic property are calculated at the B3LYP-D3/6-31G(d) level of theory. It is found that the N 8 chain could be stable in the boron nitride nanotube confinement. This work could provide a new sight into synthesizing the nitrogen-based high-energy density materials.

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Novel Nanoscale High Energetic Materials: Nanostructured Polymeric Nitrogen and Polynitrogen

Cited by 5 publications

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Nanoscale High Energetic Materials: A Polymeric Nitrogen ChainN8Confined inside a Carbon Nanotube

Nanoscale High Energetic Materials: A Polymeric Nitrogen ChainN8Confined inside a Carbon Nanotube

Searching for ways to create energetic materials based on polynitrogen compounds (review)

Density Functional Theory Study on the Encapsulation of a Polymeric Nitrogen N8 Chain inside Boron Nitride Nanotube

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