Temperature distribution in graphene doped with nitrogen and graphene with grain boundary

Lotfi, E.

doi:10.1016/j.jmgm.2017.03.005

Cited by 15 publications

(10 citation statements)

References 32 publications

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“…First, we report on the structural and electronic properties of 12 studied 2DGCN nanosheets, which are listed in Table I. We found that the planar minimum-energy configurations of the systems (2,1), (3,1), (3,4), (6,6), and (6,8) reveal semiconducting (SC) characteristics, which is in agreement with previous reports [3,[30][31][32][33] (see Fig. 1).…”

Section: Electronic Structure Of 2dcgnsupporting

confidence: 88%

“…4. The variation of the electronic band structure with applied uniaxial strain for the magnetic systems (a) (3,4), (b) (6,6), and (c) (6,8).…”

Section: A Mechanical Stiffnessmentioning

confidence: 99%

“…First we study the strain effect on the electronic band structure of three semiconducting 2DGCNs. We show the electronic band structure of the systems (3,4), (6,6), and (6,8) under uniaxial strain in Fig. 4.…”

Section: B Nonmagnetic 2dgcnmentioning

confidence: 99%

“…Two-dimensional (2D) materials beyond graphene, such as carbon nitride, silicene, and many others, are considered to be good candidates for the realization of the quantum spin Hall effect at nonzero temperature [1]. Among these materials, the two-dimensional graphitic carbon nitride (2DGCN) is a new class of nanomaterials that has attracted a lot of attention during the past few years [2][3][4][5][6][7]. The 2DGCN crystal with chemical formula C n N m is labeled by the (n, m) index, where n is the number of carbon atoms and m is the number of nitrogen atoms in the corresponding primitive cell.…”

Section: Introductionmentioning

confidence: 99%

“…In a recent theoretical work, it was shown that the system (6,6) exhibits a nontrivial band gap which can be modulated to a topological insulator by hydrogen doping [21]. The successful synthesis of different 2DGCN nanosheets such as (2,1), (3,1), (3,4), (6,8), and (6,6) was shown to have interesting semiconducting characteristics which are promising for numerous applications [2,8,22,23].…”

Section: Introductionmentioning

confidence: 99%

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Two-dimensional graphitic carbon nitrides: Strain-tunable ferromagnetic ordering

Bafekry

Peeters

2020

Phys. Rev. B

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Using first-principle calculations, we systematically study strain tuning of the electronic properties of twodimensional graphitic carbon nitride nanosheets with empirical formula C n N m . We found the following: (i) the ferromagnetic ordered state in the metal-free systems (n, m) = (4,3), (10,9), and (14,12) remains stable in the presence of strain of about 6%. However, the system (9,7) loses its ferromagnetic ordering when increasing strain. This is due to the presence of topological defects in the (9,7) system, which eliminates the asymmetry between spin up and spin down of the p z orbitals when strain is applied. (ii) By applying uniaxial strain, a band gap opens in systems which are initially gapless. (iii) In semiconducting systems which have an initial gap of about 1 eV, the band gap is closed with applying uniaxial strain.

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