Electronic transport across extended grain boundaries in graphene

Majee, Arnab K.; Akšamija, Zlatan

doi:10.1088/2632-959x/ac0597

Cited by 6 publications

(8 citation statements)

References 42 publications

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“…This can lead to a marked increase in resistivity up to values of the order of 10 kΩ µm and more in agreement with experiments with highly resistive polycrystalline samples. Similar increase in resistivity in case of non-straight GBs was also reported in a recent paper [20].…”

Section: Discussionsupporting

confidence: 90%

“…The problem is that high ρ GB values (1 kΩ µm and more) are not achievable when calculating carrier scattering on a weakly charged GBs (for 5-7 rings it is equal to e * ∼ 0.02e according to [17]). Several papers discuss the impact of graphene wrinkles [18], GB's disorder [19], roughness and zig-zagness of extended GBs [20] which make it possible to approach and in some cases even significantly exceed (see, e.g., Ref. [20]) the expected range of values.…”

Section: Introductionmentioning

confidence: 99%

“…Several papers discuss the impact of graphene wrinkles [18], GB's disorder [19], roughness and zig-zagness of extended GBs [20] which make it possible to approach and in some cases even significantly exceed (see, e.g., Ref. [20]) the expected range of values.…”

Section: Introductionmentioning

confidence: 99%

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Electrical Resistivity of Polycrystalline Graphene: Effect of Grain-Boundary-Induced Strain Fields

Krasavin¹,

Osipov²

2022

Preprint

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We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account the microscopic structure of grain boundaries (GB) as a repeated sequence of heptagon-pentagon pairs. The effect of strain field is described within the deformation potential theory. For comparison, we consider the scattering due to electrostatic potential of charged grain boundary. We show that at naturally low GB charges the deformation potential scattering dominates and leads to physically reasonable and, what is important, experimentally observable values of the electrical resistivity. It ranges from 0.1 to 10 kΩµm for different types of GBs with a size of 1 µm and has a strong dependence on misorientation angle. For low-angle highly charged GBs, two scattering mechanisms may compete. The resistivity increases markedly with decreasing GB size and reaches values of 60 kΩµm and more. It is also very sensitive to the presence of irregularities modeled by embedding of partial disclination dipoles. With significant distortion, we found an increase in resistance by more than an order of magnitude, which is directly related to the destruction of diffraction on the GB. Our findings may be of interest both in the interpretation of experimental data and in the design of electronic devices based on poly-and nanocrystalline graphene.

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Section: Discussionsupporting

confidence: 90%

Section: Introductionmentioning

confidence: 99%

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Electrical Resistivity of Polycrystalline Graphene: Effect of Grain-Boundary-Induced Strain Fields

Krasavin¹,

Osipov²

2022

Preprint

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“…These parameters can eventually have a relevant impact as it happens, for example, for transport across grain boundaries in graphene. [34][35][36][37] Finally, we aim at extending our study exploring different device architectures and geometries.…”

Section: Discussionmentioning

confidence: 99%

Electronic Transport in 2D‐Based Printed FETs from a Multiscale Perspective

Perucchini

Marian

Marín

et al. 2022

Adv Elect Materials

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As 2D materials (2DMs) gain the research limelight as a technological option for obtaining on‐demand printed low‐cost integrated circuits with reduced environmental impact, theoretical methods able to provide the necessary fabrication guidelines acquire fundamental importance. Here, a multiscale modeling technique is exploited to study electronic transport in devices consisting of a printed 2DM network of flakes. The approach implements a Monte Carlo scheme to generate the flake distribution. By means of ab initio density functional theory calculations together with non equilibrium Green's functions formalism, detailed physical insights on flake‐to‐flake transport mechanisms are provided. This later feeds a 3D drift‐diffusion and Poisson solution to compute self‐consistently transport and electrostatics in the device. The method is applied to MoS2 and graphene‐based dielectrically gated FETs, highlighting the impact of the structure density and variability on the mobility and sheet resistance. The prediction capability of the proposed approach is validated against electrical measurements of in‐house printed graphene conductive lines as a function of film thickness, demonstrating its strong potential as a guide for future experimental activity in the field.

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“…Several papers discuss the impact of graphene wrinkles 18 , GB's disorder 19 , roughness and zig-zagness of extended GBs 20 which make it possible to approach and in some cases even significantly exceed (see, e.g., Ref. 20 ) the expected range of values.It should be noted, however, that one of the most natural mechanism of electron scattering due to GB-induced strain fields has not yet been considered. Grain boundaries in graphene are formed by linear chains of pentagon-heptagon pairs or, equivalently, of 5-7 disclination dipoles, which are a source of additional mechanical stresses.…”

mentioning

confidence: 99%

Electrical resistivity of polycrystalline graphene: effect of grain-boundary-induced strain fields

Krasavin

Osipov

2022

Sci Rep

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We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account the microscopic structure of grain boundaries (GB) as a repeated sequence of heptagon–pentagon pairs. We show that at naturally low GB charges the strain field scattering dominates and leads to physically reasonable and, what is important, experimentally observable values of the electrical resistivity. It ranges from 0.1 to 10 k$$\Omega$$ Ω $$\upmu m$$ μ m for different types of symmetric GBs with a size of 1 $$\upmu$$ μ m and has a strong dependence on misorientation angle. For low-angle highly charged GBs, two scattering mechanisms may compete. The resistivity increases markedly with decreasing GB size and reaches values of 60 k$$\Omega$$ Ω $$\upmu$$ μ m and more. It is also very sensitive to the presence of irregularities modeled by embedding of partial disclination dipoles. With significant distortion, we found an increase in resistance by more than an order of magnitude, which is directly related to the destruction of diffraction on the GB. Our findings may be of interest both in the interpretation of experimental data and in the design of electronic devices based on poly- and nanocrystalline graphene.

show abstract

Electronic transport across extended grain boundaries in graphene

Cited by 6 publications

References 42 publications

Electrical Resistivity of Polycrystalline Graphene: Effect of Grain-Boundary-Induced Strain Fields

Electrical Resistivity of Polycrystalline Graphene: Effect of Grain-Boundary-Induced Strain Fields

Electronic Transport in 2D‐Based Printed FETs from a Multiscale Perspective

Electrical resistivity of polycrystalline graphene: effect of grain-boundary-induced strain fields

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