Suppressed thermal conductivity of bilayer graphene with vacancy-initiated linkages

Zhan, Haifei, Zhang, Yingyan, Bell, John M., & Gu, YuanTong (2015) Suppressed thermal conductivity of bilayer graphene with vacancy-initiated linkages. Journal of Physical Chemistry C, 119(4), pp. 1748-1752.

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Through larger-scale molecular dynamics simulations, we investigated the impacts from vacancy-initiated linkages on the thermal conductivity of bilayer graphene sheets (of size L × W = 24.5 nm × 3.7 nm). Three different interlayer linkages, including divacancy bridging, “spiro” interstitial bridging and Frenkel pair defects, are considered. It is found that the presence of interlayer linkages induces a significant degradation in the thermal conductivity of the bilayer graphene sheet. The degradation is strongly dependent on the interlayer linkage type, concentration and location. More importantly, the linkages that contain vacancies lead to more severe suppression of the thermal conductivity, in agreement with theoretical predictions that vacancies induce strong phonon scattering. Our finding provides useful guidelines for the application of multilayer graphene sheets in practical thermal management.

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ID Code: 82300
Item Type: Journal Article
Refereed: Yes
Keywords: interlayer linkages, thermal conductivity, bi-layer graphene sheet, phonon scattering, molecular dynamics simulations
DOI: 10.1021/jp5117905
ISSN: 1932-7447
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) > Nanoscale Characterisation (100712)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 American Chemical Society
Deposited On: 08 Mar 2015 23:01
Last Modified: 01 Feb 2016 18:09

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