The Impact of Interlayer Rotation on Thermal Transport Across Graphene/Hexagonal Boron Nitride van der Waals Heterostructure
The Impact of Interlayer Rotation on Thermal Transport Across Graphene/Hexagonal Boron Nitride van der Waals Heterostructure
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DOI：
10.1021/acs.nanolett.1c00294
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发表时间：
2021-03-03
期刊：
影响因子：
10.8
通讯作者：
Chen, Jie
中科院分区：
文献类型：
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作者：
Ren, Weijun;Ouyang, Yulou;Chen, Jie
石墨烯/六方氮化硼（h-BN）货车德瓦尔斯（vdW）异质结构由于其独特的莫尔条纹而引起了人们的极大兴趣。在本研究中，我们使用分子动力学模拟来研究层间旋转角θ对石墨烯/h-BN异质结构界面热输运的影响。石墨烯/h-BN界面的界面热导率G在500 K时达到509 MW/（m（2）K），随着旋转角度的增加而单调减小，在θ = 26.33 °时，G减小了约50%。声子传输函数表明，G主要由10 THz以下的低频声子贡献。在旋转时，界面石墨烯层中的表面波动增强，并且低频声子的透射函数随着θ的增加而减小，导致旋转角相关的G。这项工作揭示了通过层间旋转控制跨vdW异质结构的界面热输运的物理机制。
Graphene/hexagonal boron nitride (h-BN) van der Waals (vdW) heterostructure has aroused great interest because of the unique Moire pattern. In this study, we use molecular dynamics simulation to investigate the influence of the interlayer rotation angle theta on the interfacial thermal transport across graphene/h-BN heterostructure. The interfacial thermal conductance G of graphene/h-BN interface reaches 509 MW/(m(2)K) at 500 K without rotation, and it decreases monotonically with the increase of the rotation angle, exhibiting around 50% reduction of G with theta = 26.33 degrees. The phonon transmission function reveals that G is dominantly contributed by the low-frequency phonons below 10 THz. Upon rotation, the surface fluctuation in the interfacial graphene layer is enhanced, and the transmission function for the low-frequency phonon is reduced with increasing theta, leading to the rotation angle-dependent G. This work uncovers the physical mechanisms for controlling interfacial thermal transport across vdW heterostructure via interlayer rotation.