Molecular dynamics simulation of double-layered graphene-carbon nanotube junctions for thermal rectification

Yang, Xueming; Xu, Jiangxin; Wu, Sihan; Yu, Dapeng; Cao, Bing‐Yang

doi:10.1016/j.matlet.2018.09.121

Cited by 13 publications

(9 citation statements)

References 19 publications

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“…When Δ > 0.3, the TR ratio surges rapidly, reaching a peak of 194% when Δ = 0.5. This pattern is consistent with the changes observed in most heterojunctions ,, but is different from the graphene–boron nitride heterojunction results studied by Chen et al The difference can be attributed to differences in the vdW properties between CNTs and graphene boron nitride as well as differences in the phonon modulation.…”

Section: Resultssupporting

confidence: 83%

Thermal Rectification across an Asymmetric Layer Carbon Nanotube van der Waals Heterostructure

Wu,

Liu,

Wang

et al. 2024

ACS Appl. Mater. Interfaces

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The exceptional thermal conductivity and strength of carbon nanotubes (CNTs) position them as outstanding materials for thermal conduction. The intriguing properties introduced by van der Waals (vdW) heterojunctions have also captured the interest of researchers. However, further refinement of the research concerning the integration of these two elements is required. In our study, a vdW heterostructure with asymmetric layer nesting of multiwalled CNTs (ALCNTs) is devised, with a specific focus on the model's heat flux and thermal rectification (TR) properties, which are analyzed using nonequilibrium molecular dynamics (NEMD). Notably, the greatest TR ratio is observed in the connection of three-layer and single-layer ALCNTs. Moreover, multilayer variable-length nested models exhibit a sluggish TR ratio. An examination of the interface thermal resistance (ITR) reveals that the maximum ITR in the multilayer nested model resides at the rightmost interface. However, it is essential to highlight that the determinant of the TR ratio and heat flux in the multilayer nested model is not the maximum ITR of the rightmost interface but rather the ITR of the outermost layer on the left. Additionally, the impacts of the defect density, length, temperature difference, and hydrogenation on the model's heat flux and TR are explored, yielding noteworthy conclusions. For instance, defects in the outer CNT have a minimal influence on the heat flux and TR compared with those in the inner CNT. As the length increases, the heat flux initially decreases and then increases. Hydrogenation significantly enhances the model's heat flux but does not favor the TR. Our study contributes to advancing the understanding of CNT vdW heterojunctions and offers valuable insights for their practical applications.

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Section: Resultssupporting

confidence: 83%

Thermal Rectification across an Asymmetric Layer Carbon Nanotube van der Waals Heterostructure

Wu,

Liu,

Wang

et al. 2024

ACS Appl. Mater. Interfaces

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“…[ 108–110 ] In another publication, Yang et al. [ 112 ] investigated a similar structure, but consisting of a junction of double‐layered graphene and double‐walled carbon nanotubes (DGN‐DWCNT). In this case, the authors obtained a maximum thermal rectification of above RR ≈ 1200% with 100 K (heat sink) and 300 K (heat source) along the structure.…”

Section: Thermal Diodesmentioning

confidence: 99%

Solid‐State Thermal Control Devices

Swoboda

Klinar

Yalamarthy

et al. 2020

Adv Elect Materials

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Over the past decade, solid‐state thermal control devices have emerged as potential candidates for enhanced thermal management and storage. They distinguish themselves from traditional passive thermal management devices in that their thermal properties have sharp, nonlinear dependencies on direction and operating temperature, and can lead to more efficient circuits and energy conversion systems than what is possible today. They also distinguish themselves from traditional active thermal management devices (e.g., fans) in that they have no moving parts and are compact and reliable. In this article, the recent progress in the four broad categories of solid‐state thermal control devices that are under active research is reviewed: diodes, switches, regulators, and transistors. For each class of device, the operation principle, material choices, as well as metrics to compare and contrast performance are discussed. New architectures that are explored theoretically, but not experimentally demonstrated, are also discussed.

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“…Following their work, the thermal and mechanical properties of the PG system were studied by different research groups. [14][15][16][17][18][19][20][21] The functional attributes of PG depend on the pillar length, diameter, inter-pillar distance, 14,21 pillar arrangement, 22 type of non-hexagonal defect [16][17][18] and type of chemical bond at the CNT-graphene junctions. 15,19 Varshney et al 14 compared the PG (heptagonal defect), which has various inter-pillar distances and lengths, with pristine graphene and CNT models.…”

Section: Introductionmentioning

confidence: 99%

Modeling the effect of chirality on thermal transport in a pillared-graphene structure

Panneerselvam

Anandakrishnan

Sathian

2023

Phys. Chem. Chem. Phys.

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Molecular dynamics simulation of double-layered graphene-carbon nanotube junctions for thermal rectification

Cited by 13 publications

References 19 publications

Thermal Rectification across an Asymmetric Layer Carbon Nanotube van der Waals Heterostructure

Thermal Rectification across an Asymmetric Layer Carbon Nanotube van der Waals Heterostructure

Solid‐State Thermal Control Devices

Modeling the effect of chirality on thermal transport in a pillared-graphene structure

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