Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNC

Effects on the atomic structure and electronic properties of two-dimensional graphene (G) and h-BN sheets related to the coexistence of dopants and defects are investigated by using density functional theory based methods. Two types of extended line defects are considered for pristine G and h-BN she...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2014-10, Vol.16 (39), p.21473-21485
Hauptverfasser:	Ansari, Narjes, Nazari, Fariba, Illas, Francesc
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystal defects Density functional theory Dislocations Dopants Doping Electronic properties Grain boundaries Graphene
Online-Zugang:	Volltext
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