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[PDF] Graphene edge from armchair to zigzag: the …

The energy of an arbitrary graphene edge, from armchair (A) to zigzag (Z) orientation, is derived in analytical form. It contains a "chemical phase shift" determined by the chemical conditions at the edge. Direct atomistic computations support the universal nature of the relationship, definitive for graphene formation, and shapes of the voids or ribbons.

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Graphene at the Edge: Stability and Dynamics | Science

Aberration-corrected TEM image of (A) an armchair (frame 24) and (B) zigzag (frame 55) configuration of carbon atoms at the edge of a hole in graphene. The inset diagrams exemplify an armchair (upper panel) and zigzag (lower panel) arrangement. The armchair edge, roughly 12 hexagons long, makes a 60° turn at the lower left-hand corner.

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Comparison of fracture behavior of defective armchair …

2019-9-12 · Molecular dynamics simulations of armchair graphene nanoribbons and zigzag graphene nanoribbons with different sizes were performed at room temperature. Double vacancy defects were introduced in each graphene nanoribbon at its center or at its edge. The effect of defect on the mechanical behavior was studied by comparing the stress–strain ...

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Comparison of fracture behavior of defective armchair …

2019-9-12 · Molecular dynamics simulations of armchair graphene nanoribbons and zigzag graphene nanoribbons with different sizes were performed at room temperature. Double vacancy defects were introduced in each graphene nanoribbon at its center or at its edge. The effect of defect on the mechanical behavior was studied by comparing the stress–strain ...

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Patterning Graphene with Zigzag Edges by …

A top‐down approach for controlled tailoring of graphene nanostructures with zigzag edges is presented. It consists of two key steps: artificial defect patterning and hydrogen‐plasma etching. With this approach, various graphene nanostructures with sub‐10 nm features and identical zigzag …

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The best nanotube edges have 'armchairs' and …

The nanotube at right, with a tilted Janus edge and segregated sections of zigzag and armchair configurations, is far more energetically favored when growing carbon nanotubes via chemical vapor ...

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The best nanotube edges have 'armchairs' and …

The nanotube at right, with a tilted Janus edge and segregated sections of zigzag and armchair configurations, is far more energetically favored when growing carbon nanotubes via chemical vapor ...

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Intrinsic Spin-Orbit Coupling in Zigzag and Armchair ...

Starting from a tight-binding model, we derive the energy gaps induced by intrinsic spin-orbit (ISO) coupling in the low-energy band structures of graphene nanoribbons. The armchair graphene nanoribbons may be either semiconducting or metallic, depending on their widths in the absence of ISO interactions. For the metallic ones, the gaps induced by ISO coupling decrease with increasing ribbon ...

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Observation of zigzag and armchair edges of graphite …

Observation of zigzag and armchair edges of graphite ... Ferromagnetism can arise by an arrangement of the spins of non-bonding π-electrons at a zigzag edge of nanographene or graphene ribbon, on assumption of a model of the bipartite lattices khari2; kkusaka. In contrast, those interesting characters are quite absent at an armchair edge.

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Phonon Transport of Zigzag/Armchair Graphene …

2018-9-20 · Nanostructured thermoelectric materials are promising for modulating physical properties to achieve high thermoelectric performance. In this paper, thermal transport properties of armchair/zigzag graphene superlattice nanoribbons (A/Z graphene SLNRs) are investigated by performing nonequilibrium molecular dynamics simulations. The target of the research is to realize low thermal conductivity ...

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Phonon Transport of Zigzag/Armchair Graphene …

2018-9-20 · Nanostructured thermoelectric materials are promising for modulating physical properties to achieve high thermoelectric performance. In this paper, thermal transport properties of armchair/zigzag graphene superlattice nanoribbons (A/Z graphene SLNRs) are investigated by performing nonequilibrium molecular dynamics simulations. The target of the research is to realize low thermal conductivity ...

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Controlling armchair and zigzag edges in oxidative …

Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of

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Controlling armchair and zigzag edges in oxidative …

Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of

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Phonon Dispersion for Armchair and Zigzag Carbon …

For armchair CNTs, k x is in the circumferential direction and for zigzag CNTs, k y is in circumferential direction. So, using quantization for the wave vectors in these respective directions and using Equation (2), the phonon dispersion relations are obtained for armchair CNT and zigzag CNT from that of graphene. For calculating the phonon ...

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Graphene at the Edge: Stability and Dynamics | Science

Aberration-corrected TEM image of (A) an armchair (frame 24) and (B) zigzag (frame 55) configuration of carbon atoms at the edge of a hole in graphene. The inset diagrams exemplify an armchair (upper panel) and zigzag (lower panel) arrangement. The armchair edge, roughly 12 hexagons long, makes a 60° turn at the lower left-hand corner.