Inducing extended line defects in graphene by linear adsorption of C and N atoms

Yu, Li; Qi, Fei; Lin, Zijing; Hove, M. A. Van

doi:10.1063/1.4772212

Cited by 7 publications

(8 citation statements)

References 31 publications

(34 reference statements)

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“…The carrier concentration increases in this process. Based on our previous paper [54] using molecular dynamics (MD) simulations, a highly concentrated 585 ELD can be obtained by linear adsorption of carbon atoms in graphene. Experimentally, by thermal reconstruction of polycrystalline graphene film, controlled 585 ELDs have been achieved [55].…”

Section: Discussionmentioning

confidence: 99%

Self-doping and magnetic ordering induced by extended line defects in graphene

et al. 2015

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Based on first-principles calculations, we reveal that the interactions between extended line defects (ELDs) of type "585" (formed by five and eight membered rings) ELDs embedded in graphene can induce ordered magnetism and self-doping of graphene. By reducing the distance between 585 ELDs, a distinct charge transfer is predicted from the center of 585 ELDs to their edges, which induces a Dirac point shift below the Fermi level, resulting in distance-or density-dependent n-type doping in the graphene. Relevant to the above finding, we found a distance-dependent spin polarization at the edges of 585 ELDs, attributable to the rigidity of the π electronic structure. Our finding suggests a promising approach for achieving n-type graphene for spintronic devices by creating 585 ELDs.

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Section: Discussionmentioning

confidence: 99%

Self-doping and magnetic ordering induced by extended line defects in graphene

et al. 2015

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“…A line defect, containing pentagonal and octagonal (5)(6)(7)(8) rings embedded in a perfect graphene sheet, has been reported [34,35,39,40]. The defect acts as a quasi-one-dimensional metallic wire, which may form building blocks for atomic-scale electronics [41,42].…”

Section: Introductionmentioning

confidence: 99%

Tunable Type-I and Type-II Dirac Fermions in Graphene with Nitrogen Line Defects

et al. 2017

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Recently, type-II Dirac fermions characterized by strongly titled Dirac cones have been proposed. The new fermions exhibit unique physical properties different from the type-I Dirac fermions in graphene, and thus attract tremendous attentions. Up to date, all type-II fermions are only found in the heavy compounds with strong spin obit coupling. Here, we propose that both type-I and type-II Dirac fermions can exist in the graphene embedding nitrogen line defects. While the types of Dirac fermions are determined by the size W of graphene nanoribbons between the line defects. By comparing the two types of Dirac fermions, their different physical properties and originations are revealed directly. Remarkably, the type-I Dirac points induce one Fermi arc corresponding to edge states along the armchair direction, while the type-II Dirac points induce two Fermi arcs corresponding to two sets of edge states along the zigzag direction. These results not only expand our views on the Dirac fermions in two-dimensional structures, but also extend their applications in electronics.

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“…48 Nevertheless, adsorption is also expected to induce useful modifications of electronic properties of carbon based materials. 49 Based on density functional theory calculations, Li et al 50 suggested that linear adsorption of ad-atoms can form a 585-ELD as well as an N-doped 585-ELD.…”

Section: Introductionmentioning

confidence: 99%

“…A class of 2D hexagonal graphene-like nano-structures such as embedded-line-defect in graphene is produced through this approach. 70 Inspired by the adsorption method 50,71 and the experimental work of Lahiri et al 45 suggesting the possibility of the line defect creation in graphene and that this leads to new and interesting electronic properties, we present a systematic theoretical study of these types of novel systems. To this end models of composite h-BN-graphene sheets (h-B x N y C z ) are constructed with 585-ELD and 5775-ELD defects.…”

Section: Introductionmentioning

confidence: 99%

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

Ansari

Nazari

Illas

2014

Phys. Chem. Chem. Phys.

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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 sheets. In these sheets, the presence of individual doping increases the charge transport character. The coexistence of dopants and defects tunes the band gap towards lower values and causes the direct-indirect band gap change. The relative stability and the electronic properties of various BxNyCz systems are analyzed in detail. We find that the structural properties of these types of systems strongly depend on the orientation of grain boundaries and whether these are parallel or perpendicular to the extended line defects. The electronic structure analysis of the different systems evidences the shift of absorption to the visible region.

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Inducing extended line defects in graphene by linear adsorption of C and N atoms

Cited by 7 publications

References 31 publications

Self-doping and magnetic ordering induced by extended line defects in graphene

Self-doping and magnetic ordering induced by extended line defects in graphene

Tunable Type-I and Type-II Dirac Fermions in Graphene with Nitrogen Line Defects

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

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