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Issue 35, 2016
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Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet

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Abstract

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 m2 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 m2 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.

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

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Publication details

The article was received on 06 Jun 2016, accepted on 04 Aug 2016 and first published on 08 Aug 2016


Article type: Communication
DOI: 10.1039/C6CP03933B
Phys. Chem. Chem. Phys., 2016,18, 24164-24170
  • Open access: Creative Commons BY-NC license
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    Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet

    Y. Hong, J. Zhang and X. C. Zeng, Phys. Chem. Chem. Phys., 2016, 18, 24164
    DOI: 10.1039/C6CP03933B

    This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

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