Carbon clusters: From ring structures to nanographene

Kosimov, D. P.; Dzhurakhalov, A.A.; Peeters, F. M.

doi:10.1103/physrevb.81.195414

Cited by 70 publications

(75 citation statements)

References 45 publications

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“…The pristine graphene cluster is approximately 15 Â 20 Å in size with all of the carbon atoms on the edges terminated with hydrogen atoms. The cluster consists of zigzag edges and armchair edges, which are the most common edge shapes of graphene without considering reconstruction [63][64][65] . A periodic boundary condition is used by adding vacuum space, and the separation between neighbouring clusters is not less than 15 Å in all three dimensions.…”

Section: Discussionmentioning

confidence: 99%

High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework

2014

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Theoretical and experimental results have revealed that the lithium-ion storage capacity for nitrogen-doped graphene largely depends on the nitrogen-doping level. However, most nitrogen-doped carbon materials used for lithium-ion batteries are reported to have a nitrogen content of approximately 10 wt% because a higher number of nitrogen atoms in the two-dimensional honeycomb lattice can result in structural instability. Here we report nitrogen-doped graphene particle analogues with a nitrogen content of up to 17.72 wt% that are prepared by the pyrolysis of a nitrogen-containing zeolitic imidazolate framework at 800°C under a nitrogen atmosphere. As an anode material for lithium-ion batteries, these particles retain a capacity of 2,132 mA h g À 1 after 50 cycles at a current density of 100 mA g À 1 , and 785 mAh g À 1 after 1,000 cycles at 5 A g À 1 . The remarkable performance results from the graphene analogous particles doped with nitrogen within the hexagonal lattice and edges.

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Section: Discussionmentioning

confidence: 99%

High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework

2014

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“…Before consider multi-layer clusters we describe the principal electronic and magnetic properties of singlelayer clusters with zig-zag edges, studied in [16][17][18][19][20][21][22][23][24][25][26][27][28][29] .…”

Section: Graphene Quantum Dotsmentioning

confidence: 99%

“…The new element here is the finite-size electron confinement, resulted in opening of the energy gap for the bulk delocalized electronic states in the vicinity of Dirac point [16][17][18]21,22,25 . This gap, however can be filled by the energy level of novel electronic states, localized in the vicinity of the sample boundary [16][17][18] .…”

Section: Introductionmentioning

confidence: 99%

“…Alongside, flake-like graphene quantum dots (GQD) have captured the substantial attention of nanotechnology due to their unique optical and magnetic properties [16][17][18][19][20][21][22][23][24][25][26][27][28][29] . The new element here is the finite-size electron confinement, resulted in opening of the energy gap for the bulk delocalized electronic states in the vicinity of Dirac point [16][17][18]21,22,25 .…”

Section: Introductionmentioning

confidence: 99%

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Electronic and magnetic properties of graphite quantum dots

Abdelsalam¹,

Espinosa-Ortega

Luk’yanchuk

2015

Low Temperature Physics

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We study the electronic and magnetic properties of multilayer quantum dots (MQDs) of graphite in the nearest-neighbor approximation of tight-binding model. We calculate the electronic density of states and orbital susceptibility of the system as function of the Fermi level location. We demonstrate that properties of MQD depend strongly on the shape of the system, on the parity of the layer number and on the form of the cluster edge. The special emphasis is given to reveal the new properties with respect to the monolayer graphene quantum dots (GQD). The most interesting results are obtained for the triangular MQD with zig-zag edge at near-zero energies. The asymmetrically smeared multi-peak feature is observed at Dirac point within the size-quantized energy gap region, where monolayer graphene flakes demonstrate the highly-degenerate zero-energy state. This feature, provided by the edge-localized electronic states results in the splash-wavelet behavior in diamagnetic orbital susceptibility as function of energy.

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“…The optical and magnetic properties of the single and multilayer graphene QDs of various shapes have also been studied at zero field. [23][24][25][26][27][28][29][30][31][32][33][34] The distinctive property of these QDs is the opening of a finite-size energy gap due to the electron confinement, that is different from the above mentioned field-induced gap since it exists also at E ¼ 0. In addition, the novel electronic states localized at the sample boundary are formed.…”

Section: Introductionmentioning

confidence: 99%

Electro-absorption of silicene and bilayer graphene quantum dots

Abdelsalam

Talaat

Luk’yanchuk

et al. 2016

Journal of Applied Physics

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To cite this version:Hazem Abdelsalam, Mohamed Talaat, Igor Lukyanchuk, M. Portnoi, V. Saroka. Electro-absorption of silicene and bilayer graphene quantum dots. Journal of Applied Physics, American Institute of Physics, 2016, 120 (1) We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, the optical absorption is calculated for quantum dots, of triangular and hexagonal shapes, with zigzag and armchair edge terminations. We show that in triangular silicene clusters with zigzag edges a rich and widely tunable infrared absorption peak structure originates from transitions involving zero energy states. The edge of absorption in silicene quantum dots undergoes red shift in the external electric field for triangular clusters, whereas blue shift takes place for hexagonal ones. In small clusters of bilayer graphene with zigzag edges the edge of absorption undergoes blue/red shift for triangular/hexagonal geometry. In armchair clusters of silicene blue shift of the absorption edge takes place for both cluster shapes, while red shift is inherent for both shapes of the bilayer graphene quantum dots. Published by AIP Publishing.

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Carbon clusters: From ring structures to nanographene

Cited by 70 publications

References 45 publications

High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework

High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework

Electronic and magnetic properties of graphite quantum dots

Electro-absorption of silicene and bilayer graphene quantum dots

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