Highly defective graphene: A key prototype of two-dimensional Anderson insulators

Lherbier, Aurélien; Roche, Stephan; Restrepo, Óscar A.; Niquet, Yann-Michel; Delcorte, Arnaud; Charlier, Jean‐Christophe

doi:10.1007/s12274-013-0309-7

Cited by 61 publications

(26 citation statements)

References 46 publications

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“…In Chapter 4, by using Kubo-Greenwood calculation, we show that this conclusion is misleading and similar results have also been obtained recently in Ref. [77] Although possessing many excellent electrical, optical and mechanical properties, perfect graphene (single-crystal graphene) is only fabricated in small size by exfoliation method. So far, the most promising approach for the mass production of large-area graphene is chemical vapor deposition (CVD), which results in a graphene with many line defects (See Fig.…”

Section: Electronic and Transport Properties In Disordered Graphenesupporting

confidence: 57%

Charge and Spin Transport in Disordered Graphene-Based Materials

Tuan

2016

Springer Theses

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Section: Electronic and Transport Properties In Disordered Graphenesupporting

confidence: 57%

Charge and Spin Transport in Disordered Graphene-Based Materials

Tuan

2016

Springer Theses

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“…Such methods have been used in many studies regarding the structure and energetics of defect-containing graphene or nanotubes [22][23][24][25][26][27][28][29][30] as well as their mechanical and thermal properties. [31][32][33][34][35][36][37][38][39][40] In most of these works, the Brenner reactive empirical bond order (REBO) potentials were employed. It includes the first 41 (REBOI) and second 42 (REBOII) generations as well as the adaptive intermolecular REBO potential (AIREBO) complementing REBOII with an adaptive treatment of van der Waals interactions and a torsional potential for single bonds.…”

Section: Introductionmentioning

confidence: 99%

A Large-Scale Molecular Dynamics Study of the Divacancy Defect in Graphene

Leyssale

Vignoles

2014

J. Phys. Chem. C

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We report on the dynamical behavior of single divacancy defects in large graphene sheets as studied by extensive classical molecular dynamics (MD) simulations at high temperatures and static calculations. In the first part of the paper, the ability of the used interatomic potential to properly render the stability and dynamics (energy barriers) of such defects is validated against electronic structure calculations from the literature. Then, results from MD simulations are presented. In agreement with recent TEM studies, some mobility is observed through a series of Stone−Wales-like bond rotations involving the 5−8−5, 555−777, and 5555−6−7777 reconstructions. Although these three structures are by far the most probable structures of the DV defect, not less than 18 other full reconstructions, including the experimentally observed 55−66−77 defect, were occasionally observed in the ≈1.5 μs of MD trajectories analyzed in this work. Most of these additional reconstructions have moderate formation energies and can be formed by a bond rotation mechanism from one of the aforementioned structures, with a lower activation energy than the one required to form a Stone−Wales defect in graphene. Therefore their future experimental observation is highly probable. The results presented here also suggest that the barrier to a conventional Stone−Wales transformation (the formation of two pentagon/heptagon pairs from four hexagons) can be significantly reduced in the vicinity of an existing defect, strengthening a recently proposed melting mechanism for graphene based on the aggregation of Stone−Wales defects. From a structural point of view, in addition to pentagons, heptagons, and octagons, these new DV reconstructions can also contain four-and nine-member rings and show a particularly large spatial extent of up to 13 rings (42 atoms) against three (14 atoms) for the original 5−8−5 defect.

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“…This provides a great opportunity for engineering its properties. It is well understood 2 that a controlled rearrangement of the atoms in graphene from the honeycomb pattern into other structures will affect the electronic properties of the material (for example, by introducing a band gap due to scattering of charge carriers 3 ) and increase its chemical reactivity. 4 Also, nanocrystalline graphene manufactured from self-assembled molecular monolayers has been shown to be insulating 5 indicating the wide range of electronic properties accessible via manipulation of graphene.…”

mentioning

confidence: 99%

“…The amorphized regions have a crystallinity value of 63%. The chemical activation gives promise to the application of selectively amorphized graphene in fields ranging from chemical sensing 4 to functionalized membranes and composite materials, while the predicted introduction of a band gap 3 allows their utilization in all-carbon electronics.…”

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confidence: 99%

Toward Two-Dimensional All-Carbon Heterostructures via Ion Beam Patterning of Single-Layer Graphene

et al. 2015

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Graphene has many claims to fame: it is the thinnest possible membrane, it has unique electronic and excellent mechanical properties, and it provides the perfect model structure for studying materials science at the atomic level. However, for many practical studies and applications the ordered hexagon arrangement of carbon atoms in graphene is not directly suitable. Here, we show that the atoms can be locally either removed or rearranged into a random pattern of polygons using a focused ion beam (FIB). The atomic structure of the disordered regions is confirmed with atomic-resolution scanning transmission electron microscopy images. These structural modifications can be made on macroscopic scales with a spatial resolution determined only by the size of the ion beam. With just one processing step, three types of structures can be defined within a graphene layer: chemically inert graphene, chemically active amorphous 2D carbon, and empty areas. This, along with the changes in properties, gives promise that FIB patterning of graphene will open the way for creating all-carbon heterostructures to be used in fields ranging from nanoelectronics and chemical sensing to composite materials.

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Highly defective graphene: A key prototype of two-dimensional Anderson insulators

Cited by 61 publications

References 46 publications

Charge and Spin Transport in Disordered Graphene-Based Materials

Charge and Spin Transport in Disordered Graphene-Based Materials

A Large-Scale Molecular Dynamics Study of the Divacancy Defect in Graphene

Toward Two-Dimensional All-Carbon Heterostructures via Ion Beam Patterning of Single-Layer Graphene

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