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Ewels, C. P. (2006) Nitrogen violation of the isolated pentagon rule. Nano Lett. 6 890–895. 
Added by: Florent Boucher (2016-05-12 13:21:37)
Type de référence: Article
DOI: 10.1021/nl051421n
Numéro d'identification (ISBN etc.): 1530-6984
Clé BibTeX: Ewels2006a
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Catégories: PMN
Créateurs: Ewels
Collection: Nano Lett.
Consultations : 1/346
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
We examine a range of fullerene isomers with and without the presence of nitrogen using density-functional-based calculations. We show that nitrogen stabilizes those with neighboring pentagons, allowing sp(2) bonded carbon networks to overcome the conventional rule that paired pentagons are not allowed through energetic constraints. This implies a new family of azafullerenes containing nitrogen-stabilized pentagon pairs, many of which will be considerably smaller than C-60. We discuss the relevance for nitrogen-doped nanotube structures and the topological importance for nanotube distortion and closure.
Added by: Florent Boucher  
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