超晶格
凝聚态物理
材料科学
热导率
范德瓦尔斯力
石墨烯
异质结
声子
氮化硼
纳米技术
化学
复合材料
物理
有机化学
分子
作者
Weijun Ren,Shuang Lu,Cuiqian Yu,Jiaqing He,Zhongwei Zhang,Jie Chen,Gang Zhang
出处
期刊:Applied physics reviews
[American Institute of Physics]
日期:2023-10-16
卷期号:10 (4)
被引量:14
摘要
Moiré superlattices and their interlayer interactions in van der Waals heterostructures have received surging attention for manipulating the properties of quantum materials. In this work, based on non-equilibrium molecular dynamics simulations, we find that the in-plane thermal conductivity of graphene/hexagonal boron nitride (h-BN) moiré superlattices decreases monotonically with the increase in the interlayer rotation angle within the small twisting range. The atomic stress amplitude exhibits the periodic distribution corresponding to a structural moiré pattern. Through the in-depth analysis at the atomic level, a competing mechanism between the magnitude and the directional change of the in-plane heat flow has been revealed, and the dominant role of directional change in determining the in-plane thermal conductivity of graphene/h-BN moiré superlattices at small rotation angle has also been confirmed. Finally, the monotonic decreasing trend of in-plane thermal conductivity at a small rotation angle is further explained by the reduced low-frequency phonon transmission and the blue shift of the transmission peak as the interlayer rotation angle increases. Our work provides the physical understanding of the moiré superlattice effect and a new approach for regulating the thermal conductivity of two-dimensional materials.
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