• 文献标题:   The Impact of Interlayer Rotation on Thermal Transport Across Graphene/Hexagonal Boron Nitride van der Waals Heterostructure
  • 文献类型:   Article
  • 作  者:   REN WJ, OUYANG YL, JIANG PF, YU CQ, HE J, CHEN J
  • 作者关键词:   graphene, hexagonal boron nitride, van der waals heterostructure, interlayer rotation, interfacial thermal transport, molecular dynamics simulation
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:  
  • 被引频次:   74
  • DOI:   10.1021/acs.nanolett.1c00294 EA MAR 2021
  • 出版年:   2021

▎ 摘  要

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.