title: Electronic confinement in graphene ruled by N doped extended defects.
abstract: We investigate by means of ab-initio simulations the formation energy and the electronic properties of substitutional N doping in graphene with distinct grain boundary defects as a function of the N concentration. Our results show that the presence of substitutional N atoms along the defective regions is quite likely for several N concentrations. Also, we find either semiconducting or metallic structures, depending on the N concentration. Confinement effects were also investigated for the semiconducting structures. We find that the distance between the defect lines can modulate the band structure of those semiconducting N doped lines. This opens an interesting possibility to produce two-dimensional heterojunctions composed by N doped grain boundaries with different distances between the defect lines.
authors.affiliation: Departamento de Física, Universidade Federal de Minas Gerais, CP 702, 31270-901, Belo Horizonte, MG, Brazil.
authors.forename: W H
authors.initials: WH
authors.lastname: Brito
authors.forename: H
authors.initials: H
authors.lastname: Chacham
authors.forename: R
authors.initials: R
authors.lastname: Kagimura
authors.forename: R H
authors.initials: RH
authors.lastname: Miwa