Structure-mediated thermal transport of monolayer graphene allotropes nanoribbons

Haifei Zhan, Yingyan Zhang, John M. Bell, Yiu Wing Mai, Yuantong Gu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

35 Citations (Scopus)

Abstract

We report the study of the thermal transport management of monolayer graphene allotrope nanoribbons (size ∼20 × 4 nm2) by the modulation of their structures via molecular dynamics simulations. The thermal conductivity of graphyne (GY)-like geometries is observed to decrease monotonously with increasing number of acetylenic linkages between adjacent hexagons. Strikingly, by incorporating those GY or GY-like structures, the thermal performance of graphene can be effectively engineered. The resulting hetero-junctions possess a sharp local temperature jump at the interface, and show a much lower effective thermal conductivity due to the enhanced phonon-phonon scattering. More importantly, by controlling the percentage, type and distribution pattern of the GY or GY-like structures, the hetero-junctions are found to exhibit tunable thermal transport properties (including the effective thermal conductivity, interfacial thermal resistance and rectification). This study provides a heuristic guideline to manipulate the thermal properties of 2D carbon networks, ideal for application in thermoelectric devices with strongly suppressed thermal conductivity.

Original languageEnglish
Pages (from-to)416-423
Number of pages8
JournalCarbon
Volume77
DOIs
Publication statusPublished - Oct 2014
Externally publishedYes

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science

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