| Cite this article as: Zhai Fang-Yuan,Zhang Ding-Bo,Cao Zeng-Qiang,Huang Xiao-Yu,Ni Yu-Xiang,Wang Hong-Yan,Zhang Wen-Ting. The control of thermal conductivity in two-dimensional graphene/hexagonal boron nitride lateral heterostructures by pore defects [J]. J. At. Mol. Phys.(原子与分子物理学报), 2024, 41: 062004 (in Chinese) |
| The control of thermal conductivity in two-dimensional graphene/hexagonal boron nitride lateral heterostructures by pore defects |
| Hits 200 Download times 35 Received:March 31, 2023 Revised:April 14, 2023 |
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| Key Words
Graphene/boron nitride, thermal transport, molecular dynamics, Anderson phonon localization |
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| Abstract
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| This article uses void defects to regulate the thermal conductivity of the two-dimensional graphene/h-BN lateral heterojunction. The results of equilibrium molecular dynamics (EMD) calculations show that the introduction of interface voids can reduce the thermal conductivity of the heterojunction. Compared with the ordered void distribution, the disordered void distribution can more effectively reduce the thermal conductivity of the heterojunction, which can be explained by phonon Anderson localization. The presence of void defects leads to changes in the frequency and wave vector of phonons, making phonon scattering more frequent. When voids are randomly distributed, phonon waves undergo multiple reflections and scattering in the material, eventually forming localized vibrational modes. This study reveals the physical mechanism by which void defects reduce the thermal conductivity of the two-dimensional graphene/h-BN lateral heterojunction and has some guiding significance for the structural design of two-dimensional thermoelectric materials. |
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