• 文献标题:   Investigation of interfacial thermal transport across graphene and an organic semiconductor using molecular dynamics simulations
  • 文献类型:   Article
  • 作  者:   WANG XY, ZHANG JC, CHEN Y, CHAN PKL
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Univ Hong Kong
  • 被引频次:   7
  • DOI:   10.1039/c7cp01958k
  • 出版年:   2017

▎ 摘  要

The interfacial thermal transport across graphene and an organic semiconductor, dinaphtho[2,3-b: 20,30-f]thieno[3,2-b] thiophene (DNTT), is investigated using molecular dynamics simulations. The average thermal boundary resistance (TBR) of graphene and DNTT is 4.88 + 0.12 x 10(-8) m(2) K W-1 at 300 K. We find that TBR of a graphene-DNTT heterostructure possesses as high as 83.4% reduction after the hydrogenation of graphene. Moreover, as the graphene vacancy increases from 0% to 6%, the TBR drops up to 39.6%. The reduction of TBR is mainly attributed to the coupling enhancement of graphene and DNTT phonons as evaluated from the phonon density of states. On the other hand, TBR keeps a constant value while the vacancy in the DNTT layer increases. The TBR would decrease when the temperature and coupling strength increase. These findings provide a useful guideline for the thermal management of the graphenebased organic electronic devices, especially the large area transistor arrays or sensors.