First principle calculations of the electronic properties of nitrogen-doped carbon nanoribbons with zigzag edges

Calculations have been performed for carbon nanoribbons (CNRs) with zigzag edges containing one substitutional nitrogen atom per 154 carbon atoms, using ab initio density functional theory. It is found that the formation energies of these nanoribbons depend on the nitrogen doping site, as do the ele...

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Veröffentlicht in:	Carbon (New York) 2008-03, Vol.46 (3), p.537-543
Hauptverfasser:	Yu, S.S., Zheng, W.T., Wen, Q.B., Jiang, Q.
Format:	Artikel
Sprache:	eng
Schlagworte:	Cross-disciplinary physics: materials science rheology Exact sciences and technology Fullerenes and related materials diamonds, graphite Materials science Physics Specific materials
Online-Zugang:	Volltext
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