Prediction of a stable free standing nitrogen oligomer

✍ Scribed by Frank J. Owens

• Publisher: Elsevier
• Year: 2011
• Tongue: English
• Weight: 311 KB
• Volume: 966
• Category: Article
• ISSN: 2210-271X
• DOI: 10.1016/j.comptc.2011.02.026

✦ Synopsis

Density Functional Theory is used to predict the possibility of a double chain nitrogen oligomer. Calculation of the frequencies of the normal modes for various chain lengths show no negative frequencies indicating the structures are stationary states. The calculations indicate that this nitrogen oligomer can exist without the need to be stabilized inside carbon nanotubes or between graphene planes as has been predicted for other forms of nitrogen oligomers. It is also predicted that the oligomer is semiconducting. The calculations also show that the material is quite stable and on decomposition to n[N 2 ] is more exothermic than any existing energetic material.