Structure-mediated thermal transport of monolayer graphene allotropes nanoribbons

Zhan, Haifei, Zhang, Yingyan, Bell, John M., Mai, Yiu-Wing, & Gu, YuanTong (2014) Structure-mediated thermal transport of monolayer graphene allotropes nanoribbons. Carbon, 77, pp. 416-423.

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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.

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13 citations in Web of Science®

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ID Code: 74372
Item Type: Journal Article
Refereed: Yes
Keywords: graphene, allotrope, thermal conductivity, interfacial thermal resistance, molecular dynamics simulation
DOI: 10.1016/j.carbon.2014.05.045
ISSN: 0008-6223
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanomaterials (100708)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanoscale Characterisation (100712)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2014 Elsevier
Copyright Statement: This is the author’s version of a work that was accepted for publication in Carbon. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Carbon, [VOL 77, (2014)] DOI: 10.1016/j.carbon.2014.05.045
Deposited On: 24 Jul 2014 03:36
Last Modified: 06 Nov 2016 04:02

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