Thermal conductivity of monolayer hexagonal boron nitride nanoribbons

Tabarraei, Alireza

doi:10.1016/j.commatsci.2015.06.006

Cited by 89 publications

(39 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From their results, the ratio between the armchair and the zigzag directions is κ N R AC /κ N R ZZ ≈ 0.68. This is further supported by the results from other authors, who have reported that, for the nanoribbon case, the most conductive transport direction is the zigzag one obtaining values around κ N R AC /κ N R ZZ ≈ 0.6 − 0.7 [21,25,27].…”

Section: Anisotropy Of the Thermal Conductivity In Samples Of Finite supporting

confidence: 84%

“…Concerning the thermal properties in nanorribons, the values reported so far are significantly lower than the 2D infinite monolayer counterpart. Moreover, strong dependence as a function of the width and the length of the ribbon has also been observed [25,26]. Although it was reported that the thermal conductivities for zigzag and armchair oriented nanoribbons are different [21,25,27] suggesting a possible anisotropy, the only work that has studied systematically the thermal conductivity as a function of the orientation of the ribbon was done by Y.…”

Section: Cepellotti Et Al Have Solved the Linearized Bte Equation Usmentioning

confidence: 99%

See 1 more Smart Citation

Thermal and transport properties of pristine single-layer hexagonal boron nitride: A first principles investigation

Illera

Pruneda

Colombo

et al. 2017

Phys. Rev. Materials

View full text Add to dashboard Cite

Molecular dynamics is used in combination with density functional theory to determine the thermal transport properties of the single-layer hexagonal boron nitride (SL h-BN) from ab initio calculations. Within this approach, the possible anisotropy in the thermal conductivity of SL h-BN was studied. For samples with finite length (of the order of 20 nm), we find a significant dependence of the conductivity on the transport direction. We make a direct comparison of the results obtained for two-dimensional (2D) layers and for nanoribbons with similar size, and show that, as a consequence of edge scattering, the ribbon geometry induces a significant decrease in the conductivity, and produces a strong change in the anisotropy. For the zigzag and armchair transport directions, the dependence of the thermal conductivity on the system length was also obtained, as well as its value in the 2D bulk limit case. A very small anisotropy was found for the limit of long samples, in contrast with the finite length ones. This is explained analyzing the dependence of the average square group velocities on the transport direction and the phonon frequency

show abstract

Section: Anisotropy Of the Thermal Conductivity In Samples Of Finite supporting

confidence: 84%

Section: Cepellotti Et Al Have Solved the Linearized Bte Equation Usmentioning

confidence: 99%

Thermal and transport properties of pristine single-layer hexagonal boron nitride: A first principles investigation

Illera

Pruneda

Colombo

et al. 2017

Phys. Rev. Materials

View full text Add to dashboard Cite

show abstract

“…The calculated thermal conductivity for infinitely long h-BN is 277.78 and 588.24 W m À1 K À1 , respectively, along the armchair and zigzag directions. 36 Phonon power spectrum analyses are conducted to assist the understanding of the predicted results. After the hybrid system reaches a steady state with a constant heat flux, atom velocities of the h-BN and graphene hybrid sheet are recorded continuously for 10 ps, which are then used for the PDOS computation according to eqn (4).…”

Section: Effects Of System Dimension and Heat Flux Directionmentioning

confidence: 99%

Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet

Yang

Zhang

Zeng

2016

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Interfacial thermal conductance plays a vital role in defining the thermal properties of nanostructured materials in which heat transfer is predominantly phonon mediated. In this work, the thermal contact resistance (R) of a linear heterojunction within a hybrid graphene/hexagonal boron nitride (h-BN) sheet is characterized using non-equilibrium molecular dynamics (NEMD) simulations. The effects of system dimension, heat flux direction, temperature and tensile strain on the predicted R values are investigated. The spatiotemporal evolution of thermal energies from the graphene to the h-BN sheet reveals that the main energy carrier in graphene is the flexural phonon (ZA) mode, which also has the most energy transmissions across the interface. The calculated R decreases monotonically from 5.2 × 10(-10) to 2.2 × 10(-10) K m(2) W(-1) with system lengths ranging from 20 to 100 nm. For a 40 nm length hybrid system, the calculated R decreases by 42% from 4.1 × 10(-10) to 2.4 × 10(-10) K m(2) W(-1) when the system temperature increases from 200 K to 600 K. The study of the strain effect shows that the thermal contact resistance R between h-BN and graphene sheets increases with the tensile strain. Detailed phonon density of states (PDOS) is computed to understand the thermal resistance results.

show abstract

“…Mashreghi et al [23] calculated the apparent coefficient of thermal expansion (CTE) to describe the variety of thermal property and found that apparent CTE is nearly small diameter independent. Tabarrai et al [24] investigated the effects of width and two kinds of defects on the thermal conductivity of BNNRs using the reverse NEMDS. The results showed that thermal conductivity of BNNRs slightly changed by increasing the width of nanoribbons, indicating the weak dependence of thermal conductivity on the width.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics investigation of the thermal properties in single-walled boron nitride nanotube

Huang

Guo

Fan

et al. 2020

Mater. Res. Express

View full text Add to dashboard Cite

The thermal properties of single-walled boron nitride nanotubes (BNNTs) are studied in this paper based on molecular dynamics (MD) simulations. The influence and mechanism of tubular configuration, temperature, length, diameter and chirality on the thermal conductivity of BNNTs are systematically analyzed. The results show that the thermal conductivity decreased with increasing temperatures. The values of thermal conductivity of BNNTs and boron nitride nanoribbons (BNNRs) confirm that the tubular configuration is more conducive to phonon propagation. The thermal conductivity is raised by increasing the length of BNNTs. Moreover, the thermal conductivity changes slightly with further increase of diameter and various chirality. The results share guiding significance for thermal transport characterization of nanoscale thermal conductive component based on boron nitride nanotubes.

show abstract

Thermal conductivity of monolayer hexagonal boron nitride nanoribbons

Cited by 89 publications

References 33 publications

Thermal and transport properties of pristine single-layer hexagonal boron nitride: A first principles investigation

Thermal and transport properties of pristine single-layer hexagonal boron nitride: A first principles investigation

Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet

Molecular dynamics investigation of the thermal properties in single-walled boron nitride nanotube

Contact Info

Product

Resources

About