Molecular Dynamics Simulation on Tensile Deformation of Graphene with Nanomeshes

Sun, Yue; Xu, Ke

doi:10.1080/10584587.2011.576611

Cited by 2 publications

(2 citation statements)

References 18 publications

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“…While the few theoretical works on GNMs have focused on their electronic [30][31][32][33][34] and mechanical properties [35][36][37], to our knowledge, only a few have investigated thermal properties of GNMs so far [38,39]. In this paper, by performing numerical experiments, we present an interesting observation regarding the thermal expansion behavior of the holes in GNMs.…”

Section: Introductionmentioning

confidence: 90%

Thermal expansion behavior of holes in graphene nanomeshes

Mosterio

Fonseca

2014

Phys. Rev. B

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The thermal expansion of a hole, in a planar system, follows the same trend as the thermal expansion of the whole system, i.e., the hole expands (contracts) if the material expands (contracts) under thermal excitation. At nanoscale, this phenomenon has not been studied so far. Here, using tools of classical molecular dynamics simulations, we show that graphene nanomeshes (GNMs) behave oppositely: While the whole structure contracts (expands), the nanoholes expand (contract) under thermal excitation. We propose and test a simple mechanism to describe this unexpected behavior in terms of out-of-plane vibrations of the atoms close to and far from the edges of the holes. This mechanism allows us to see that, contrary to usual planar systems, this behavior comes from nonuniform thermal expansion along the structure. Although the thermal expansion of holes in GNMs is contrary to the classical prediction, we verify that the thermal expansion of the whole GNM structure is the same as that of pristine graphene.

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Section: Introductionmentioning

confidence: 90%

Thermal expansion behavior of holes in graphene nanomeshes

Mosterio

Fonseca

2014

Phys. Rev. B

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“…Now, most theoretical works on GNM have focused on their electronic [70][71][72][73][74][75] and mechanical properties. 55,76 In the graphene honeycomb lattice of carbon atoms, the charge transport can be well described by a simple nearest-neighbor tight binding model. Recently, Hung Nguyen et al proposed a model and calculation, which could be used to investigate the exact characteristics of the GNM devices.…”

Section: Potential Applications Of Gnmmentioning

confidence: 99%

Graphene nanomesh: new versatile materials

Yang

et al. 2014

Nanoscale

100

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Graphene, an atomic-scale honeycomb crystal lattice, is increasingly becoming popular because of its excellent mechanical, electrical, chemical, and physical properties. However, its zero bandgap places restrictions on its applications in field-effect transistors (FETs). Graphene nanomesh (GNM), a new graphene nanostructure with a tunable bandgap, shows more excellent performance. It can be widely applied in electronic or photonic devices such as highly sensitive biosensors, new generation of spintronics and energy materials. These illustrate significant opportunities for the industrial use of GNM, and hence they push nanoscience and nanotechnology one step toward practical applications. This review briefly describes the current status of the design, synthesis, and potential applications of GNM. Finally, the perspectives and challenges of GNM development are presented and some suggestions are made for its further development and exploration.

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Molecular Dynamics Simulation on Tensile Deformation of Graphene with Nanomeshes

Cited by 2 publications

References 18 publications

Thermal expansion behavior of holes in graphene nanomeshes

Thermal expansion behavior of holes in graphene nanomeshes

Graphene nanomesh: new versatile materials

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