http://www.cnr.it/ontology/cnr/individuo/prodotto/ID301127
Origin and impact of sublattice symmetry breaking in nitrogen-doped graphene (Articolo in rivista)
- Type
- Label
- Origin and impact of sublattice symmetry breaking in nitrogen-doped graphene (Articolo in rivista) (literal)
- Anno
- 2014-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1103/PhysRevB.89.115408 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Deretzis I.; La Magna A. (literal)
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- http://www.scopus.com/inward/record.url?eid=2-s2.0-84896980739&partnerID=q2rCbXpz (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
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- Istituto per la Microelettronica e Microsistemi (CNR-IMM), Z.I. VIII strada 5, 95121 Catania, Italy (literal)
- Titolo
- Origin and impact of sublattice symmetry breaking in nitrogen-doped graphene (literal)
- Abstract
- We use the density functional theory to demonstrate that the chemical reactivity of nitrogen atoms with a propagating zigzag edge during the nucleation of graphene grains can give rise to persistent sublattice symmetry breaking phenomena. Their effect on the electronic structure of a formed two-dimensional graphene sheet is studied by unfolding the bands obtained from large supercell calculations. We argue that the loss of inversion symmetry enhances the creation of a band gap when assisted by dopant agglomeration. At higher concentrations of graphitic nitrogen the conduction band gets strongly suppressed, paving the way for the use of nitrogen-doped graphene as a valley-filter component. © 2014 American Physical Society. (literal)
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