Effect of covalent functionalization on thermal transport across graphene-polymer interfaces

Wang, Y., Zhan, H. F., Xiang, Y., Yang, C., Wang, C. M. and Zhang, Y. Y. (2015) Effect of covalent functionalization on thermal transport across graphene-polymer interfaces. Journal of Physical Chemistry C, 119 22: 12731-12738. doi:10.1021/acs.jpcc.5b02920

Author Wang, Y.
Zhan, H. F.
Xiang, Y.
Yang, C.
Wang, C. M.
Zhang, Y. Y.
Title Effect of covalent functionalization on thermal transport across graphene-polymer interfaces
Journal name Journal of Physical Chemistry C   Check publisher's open access policy
ISSN 1932-7455
Publication date 2015-06-04
Sub-type Article (original research)
DOI 10.1021/acs.jpcc.5b02920
Open Access Status Not yet assessed
Volume 119
Issue 22
Start page 12731
End page 12738
Total pages 8
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Subject 2504 Electronic, Optical and Magnetic Materials
2100 Energy
1606 Physical and Theoretical Chemistry
2508 Surfaces, Coatings and Films
Abstract This Article is concerned with the interfacial thermal resistance for polymer composites reinforced by various covalently functionalized graphene. By using molecular dynamics simulations, the obtained results show that the covalent functionalization in graphene plays a significant role in reducing the graphene-paraffin interfacial thermal resistance. This reduction is dependent on the coverage and type of functional groups. Among the various functional groups, butyl is found to be the most effective one in reducing the interfacial thermal resistance, followed by methyl, phenyl, and formyl. The other functional groups under consideration such as carboxyl, hydroxyl, and amines are found to produce negligible reduction in the interfacial thermal resistance. For multilayer graphene with a layer number up to four, the interfacial thermal resistance is insensitive to the layer number. The effects of the different functional groups and the layer number on the interfacial thermal resistance are also elaborated using the vibrational density of states of the graphene and the paraffin matrix. The present findings provide useful guidelines in the application of functionalized graphene for practical thermal management.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Civil Engineering Publications
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Citation counts: TR Web of Science Citation Count  Cited 25 times in Thomson Reuters Web of Science Article | Citations
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