• 文献标题:   Thermal Rectification in Asymmetric Graphene/Hexagonal Boron Nitride van der Waals Heterostructures
  • 文献类型:   Article
  • 作  者:   CHEN XK, PANG M, CHEN T, DU D, CHEN KQ
  • 作者关键词:   thermal rectification, vdw heterostructure, asymmetry, phonon mismatch, molecular dynamic
  • 出版物名称:   ACS APPLIED MATERIALS INTERFACES
  • ISSN:   1944-8244 EI 1944-8252
  • 通讯作者地址:   Univ South China
  • 被引频次:   3
  • DOI:   10.1021/acsami.9b22498
  • 出版年:   2020

▎ 摘  要

Graphene/hexagonal boron nitride (h-BN) heterostructures assembled by van der Waals (vdW) interactions show numerous unique physical properties such as quantum Hall effects and exotic correlated states, which have promising potential applications in the design of novel electronic devices. Understanding thermal transport in such junctions is critical to control the performance and stability of prospective nanodevices. In this work, using nonequilibrium molecular dynamics simulations, we systematically investigate the thermal transport in asymmetric graphene/h-BN vdW heterostructures. It is found that the heat prefers to flow from the monolayer to the multilayer regions, resulting in a significant thermal rectification (TR) effect. To determine the optimum conditions for TR, the influences of sample length, defect density, asymmetric degree, ambient temperature, and vdW interaction strength are studied. Particularly, we found that the TR ratio could be improved by about 1 order of magnitude via increasing the coupling strength from 1 to 10, which clearly distinguishes from the commonly held notion that the TR ratio is practically insensitive or even decreasing with the interaction strength. Detailed spectral analysis reveals that this unexpected increase of the TR ratio can be attributed to heavily modified phonon properties of encased graphene due to enhanced interlayer coupling. Our results elucidate the importance of vdW interactions to heat conduction in nanostructures.