NDLI: Ti and Mn doped graphene nanoribbons: an ab initio study

Content Provider	Semantic Scholar
Author	Menezes, Vivian M. De Power, Stephen R. Ferreira, Mauro S. Fagan, Solange B.
Copyright Year	2009
Abstract	The experimental discovery of graphene with one atom thick allows the production of ribbons, called graphene nanoribbons. While these materials share properties with other carbon based materials, such as carbon nanotubes and graphene, other effects arise due to their width and the edge geometries. In this context, this work aims to investigate the zigzag nanoribbons electronic and magnetic properties dependence on the impurity position by ab intio calculations. A chemical sensitivity of the ribbon properties is demonstrated, noting different behaviors of the electronic properties with magnetic Mn impurities and nonmagnetic Ti impurities doping. It is also shown that the nanoribbons edges are the energetically favorable sites, independent of the impurity type.
File Format	PDF HTM / HTML
Alternate Webpage(s)	https://www.sbpmat.org.br/9encontro/especific_files/papers/C515.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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