Thermal rectification effect of pristine graphene induced by vdW heterojunction substrate

Chen, Guofu; Bao, Wenlong; Chen, Jiao; Wang, Zhaoliang

doi:10.1016/j.carbon.2022.01.012

Cited by 15 publications

(3 citation statements)

References 62 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In addition, the heat flow inside the SWCNT-TIM is highly directional because the SWCNT acts as a quasi-one-dimensional material, maintaining essentially the normal heat transport capacity in one direction, while the thermal transport in the opposite direction is extremely suppressed. This behavior is similar to that of electric diodes, except that in SWCNT and Si semiconductors the regulated carriers are no longer electrons but phonons, i.e., the phenomenon known as thermal rectification (TR) occurs [22,23]. The TR effect caused by the nonlinear interface structure is of great application in the field of regulated thermal transport.…”

Section: Introductionmentioning

confidence: 58%

Interfacial thermal transport of carbon nanotube on substrate

Chen

Wang

2023

Preprint

Self Cite

View full text Add to dashboard Cite

Exploring the thermal transport properties of the interface structure of low-dimensional nanomaterials contributes to a deeper understanding of the interface phonon modes and may provide theoretical support for efficient chip cooling devices. In this manuscript, we have simulated in detail the effects of system temperature, substrate location and heat flow density on the thermal transport at the SWCNT/Si interface using the Non-equilibrium Molecular Dynamics approach and predicted the interfacial thermal conductance of SWCNT/Si for second, third and fourth order phonon using the Anharmonic Inelastic model. The results show that the low-frequency acoustic branch of SWCNT is suppressed by phonon scattering from the substrate, and the low-frequency phonon branch of SWCNT is boosted by about 1 THz. The anharmonic channels and inelastic phonon scattering significantly affect the interface phonon modes at higher temperatures, and the anharmonic interactions could increase additional thermal transport channels, which result in an increased number of additional phonon peaks. The increase in temperature gradually consumes the phonons incident at the interface in SWCNT, which enhances the anharmonic scattering and weakens the nonlinear characteristics of the bimaterial heterostructure, while the weakening of the acoustic branch accompanied by the temperature increase makes the LA phonon branch thermal conduction rate slower and the interfacial thermal conductance gradually stabilizes, which leads to the weakening of the thermal rectification effect.

show abstract

Section: Introductionmentioning

confidence: 58%

Interfacial thermal transport of carbon nanotube on substrate

Chen

Wang

2023

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

“…For instance, Bao et al 48 discovered that a GaN substrate disrupts the reflection symmetry of suspended monolayer graphene, creating additional scattering channels for phonons. Chen et al 49 explored the different substrate effects of SiO 2 and GaN, finding that these substrates influence the movement of various bending phonon modes, thereby enhancing the TR ratio. Additionally, Li et al 50 determined that the SiO 2 substrate affects the TR effect by altering the phonon spectrum matching between graphene and boron nitride.…”

Section: ■ Introductionmentioning

confidence: 99%

Thermal Rectification in Graphene–Boron Nitride Nanotube Hybrid Structures: An Independent Control Mechanism for Forward and Backward Heat Flux

Wu,

Liu,

Wang

et al. 2024

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

The weak van der Waals interactions in the out-ofplane direction result in markedly low thermal conductivity in onedimensional (1D) and two-dimensional (2D) materials, which substantially restricts their applications. Developing three-dimensional (3D) columnar hybrid structures, featuring high thermal conductivity both within and beyond the plane, effectively addresses this challenge. This study investigated a 3D hybrid structure composed of graphene and boron nitride nanotubes (GR-BNNTs) using non-equilibrium molecular dynamics simulations. This approach allowed the examination of the formation mechanisms and key factors influencing thermal rectification (TR) in these materials. Our findings reveal a novel mechanism for independently regulating forward and backward heat fluxes in GR-BNNTs. By manipulating the thermal properties of the BNNTs and the graphene layer, the TR ratio can be controlled flexibly. Additionally, we identify specific strategies for independently adjusting the heat flux, such as altering the intercolumn distance of BNNTs, which impacts the backward flux merely, while applying strain to affect the forward flux merely. This research introduces a novel concept of independent regulation of forward and backward heat fluxes, providing significant insights into phonon thermal transport in 3D hybrid structures.

show abstract

“…When used in the thermal interface materials, the electrical conduction of graphene is avoided to remove the occurrence of short-circuit breakage. These graphene-based vdW heterostructures, including graphene/SiO 2 , graphene/MoS 2 , graphene/black phosphorus, and graphene/hexagonal boron nitride (h-BN), , can alleviate graphene’s zero band gap and remove its limitation in electronic applications. Among them, the graphene/h-BN (GBN) vdW heterostructure is the most widely investigated ever since it was successfully synthesized by Dean et al and Wang et al by using a water-based transfer method and a dry yet contamination-free transfer method, respectively.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation on In-Plane Thermal Conductivity of Graphene/Hexagonal Boron Nitride van der Waals Heterostructures

Yang

et al. 2022

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Graphene, hexagonal boron nitride (h-BN), and their heterostructures are promising thermal interface materials due to the outstanding thermal properties of graphene and h-BN. For the heterostructures, extensive work has mainly focused on the thermal transport of two-dimensional (2D) graphene/h-BN (GBN) in-plane heterostructures in which graphene and h-BN are bonded at the interface. In this study, we investigate the thermal conductivity of three-dimensional (3D) GBN van der Waals (vdW) heterostructures by means of nonequilibrium molecular dynamics (NEMD) simulations. Unlike the 2D GBN in-plane heterostructure, the 3D GBN vdW heterostructure consists of three layers where graphene is sandwiched by two h-BN sheets via vdW forces. Various techniques, including hydrogen-functionalization, vacancy defects, tensile strain, interlayer coupling strength, layer numbers of h-BN, size effect, and temperature, are extensively explored to find an effective route for the modulation of the thermal conductivity. It is found that the thermal conductivity of the triple-layer GBN vdW heterostructure is very sensitive to these extrinsic factors. Of these, hydrogen-functionalization is the most effective method. A low hydrogen coverage of 1% in the sandwiched graphene can lead to 55% reduction in the thermal conductivity of the vdW heterostructure. Vacancy defects on graphene exert a more significant effect on the thermal conductivity reduction for the vdW heterostructure than B or N vacancies in the outer h-BN layers. This work reveals the physical mechanism for manipulating the thermal transport along the GBN vdW heterostructures via structural modification and provides a useful guideline for designing novel thermal management devices based on the GBN vdW heterostructures.

show abstract

Thermal rectification effect of pristine graphene induced by vdW heterojunction substrate

Cited by 15 publications

References 62 publications

Interfacial thermal transport of carbon nanotube on substrate

Interfacial thermal transport of carbon nanotube on substrate

Thermal Rectification in Graphene–Boron Nitride Nanotube Hybrid Structures: An Independent Control Mechanism for Forward and Backward Heat Flux

Molecular Dynamics Simulation on In-Plane Thermal Conductivity of Graphene/Hexagonal Boron Nitride van der Waals Heterostructures

Contact Info

Product

Resources

About