• 文献标题:   Phonon thermal rectification in hybrid graphene-C3N: a molecular dynamics simulation
  • 文献类型:   Article
  • 作  者:   FARZADIAN O, RAZEGHIYADAKI A, SPITAS C, KOSTAS KV
  • 作者关键词:   thermal rectification, graphenec3n, phonon density of state, molecular dynamic
  • 出版物名称:   NANOTECHNOLOGY
  • ISSN:   0957-4484 EI 1361-6528
  • 通讯作者地址:   Nazarbayev Univ
  • 被引频次:   0
  • DOI:   10.1088/1361-6528/abb04b
  • 出版年:   2020

▎ 摘  要

We apply the non-equilibrium molecular dynamics approach (NEMD) to study thermal rectification in a hybrid graphene-carbon nitride system (G-C3N 60 K, and high thermal rectification values, up to around 50% for Delta T = 100 K. Furthermore, this behavior remains practically consistent among different sample lengths. The underlying mechanism leading to a preferable direction for phonons is calculated using phonon density of states (DOS) on both sides of the G-C3N