Esfahani, Mohammad Nasr orcid.org/0000-0002-6973-2205, Jabbari, Masoud, Xu, Yongbing orcid.org/0000-0002-7823-0725 et al. (1 more author) (2021) Effect of nanoscale defects on the thermal conductivity of graphene. Materials Today Communications. 101856. ISSN 2352-4928
Abstract
There are remarkable theoretical efforts geared towards understanding the impact of fabrication-induced defects on the operational behaviour of a single layer graphene. These studies have been focused mainly on atomic defects, while nanoscale pinholes and patches of two layers thick (bilayer) attached on a monolayer graphene are inevitable during the synthesis process. In this work the influence of these nanoscale defects on the graphene thermal conductivity is studied via non-equilibrium molecular dynamics simulations. The thermal conductivity of a single layer zigzag and armchair oriented graphene is modelled capturing the effect of voids and bilayer imperfections. A single layer graphene sheet with a size of 50 nm × 10 nm is analysed having an elliptical defect of up to 6 nm (major axis). Our results exhibit a reduction of over 20% in thermal conductivity with increasing temperature and about 75% drop with increasing void size. The decrease in the thermal conductivity is 15% for the single layer graphene with a bilayer defect of 6 nm in diameter. This study demonstrates a dramatic influence of defect shape on the thermal conductivity of graphene, where defects with elliptical shapes demonstrate a higher thermal transfer in graphene compared to circular ones. This work provides a guideline of how to quantify the effect of fabrication induced defects on thermal conductivity of graphene.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2020 Elsevier Ltd. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. |
Keywords: | Bilayer,Graphene,Molecular dynamics,Pinhole,Thermal conductivity |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Electronic Engineering (York) |
Depositing User: | Pure (York) |
Date Deposited: | 04 May 2021 11:10 |
Last Modified: | 04 Mar 2025 00:07 |
Published Version: | https://doi.org/10.1016/j.mtcomm.2020.101856 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1016/j.mtcomm.2020.101856 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:173648 |