Thermal transport in graphyne nanoribbons

Tao Ouyang, Yuanping Chen, Li-Min Liu, Yuee Xie, Xiaolin Wei, and Jianxin Zhong
Phys. Rev. B 85, 235436 – Published 19 June 2012

Abstract

Graphyne, a new allotrope of carbon, is a current topic of focus in the nanomaterial research community. We investigate the thermal transport property of graphyne nanoribbons (GYNRs) by using the nonequilibrium Green's-function method. The thermal conductance of GYNRs is only approximately 40% that of graphene nanoribbons. A distinct width dependence of the thermal property is observed in GYNRs as well. The conductance of armchair-edged GYNRs (A-GYNRs) shows a linear width dependence, while a steplike width dependence is displayed in the conductance of zigzag-edged GYNRs (Z-GYNRs). Moreover, the conductance of an A-GYNR is larger than that of a Z-GYNR of the same width, indicating obvious anisotropic transport in graphyne (twice that in graphene). In addition, the thermal transport in graphyne family nanoribbons is also explored. The results show that the conductance of graphyne family nanoribbons is insensitive to the acetylenic linkages, but depends on the number of benzene rings. These findings could offer useful guidelines for the design and performance improvement of the graphyne-based nanodevices.

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  • Received 28 February 2012

DOI:https://doi.org/10.1103/PhysRevB.85.235436

©2012 American Physical Society

Authors & Affiliations

Tao Ouyang1,*, Yuanping Chen1,†, Li-Min Liu2, Yuee Xie1, Xiaolin Wei1, and Jianxin Zhong1,‡

  • 1Laboratory for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan 411105, Hunan, China
  • 2Laboratory for Green Energy, Beijing Computational Science Research Center, Beijing 100084, China

  • *ouyangtao@xtu.edu.cn
  • chenyp@xtu.edu.cn
  • jxzhong@xtu.edu.cn

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Issue

Vol. 85, Iss. 23 — 15 June 2012

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