Theory of nitrogen doping of carbon nanoribbons: Edge effects

Nitrogen doping of a carbon nanoribbon is profoundly affected by its one-dimensional character, symmetry, and interaction with edge states. Using state-of-the-art ab initio calculations, including hybrid exact-exchange density functional theory, we find that, for N-doped zigzag ribbons, the electron...

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Veröffentlicht in:	The Journal of chemical physics 2012-01, Vol.136 (1), p.014702-014702-6
Hauptverfasser:	Jiang, Jie, Turnbull, Joseph, Lu, Wenchang, Boguslawski, Piotr, Bernholc, J.
Format:	Artikel
Sprache:	eng
Schlagworte:	NANOSCIENCE AND NANOTECHNOLOGY Nanotubes, Carbon - chemistry Nitrogen - chemistry Quantum Theory
Online-Zugang:	Volltext
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