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Open AccessArticle

Thermal Transport in Graphene Oxide Films: Theoretical Analysis and Molecular Dynamics Simulation

1
Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas, Ministry of Education, Northwest A&F (Agriculture and Forestry) University, Yangling 712100, China
2
Zhuhai Da Hengqin Science and Technology Development Co. Ltd., Hengqin New Area, Zhuhai 519000, China
3
State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace, Xi’an Jiaotong University, Xi’an 710049, China
4
Beijing Institute of Spacecraft Environment Engineering, Beijing 100094, China
*
Authors to whom correspondence should be addressed.
Nanomaterials 2020, 10(2), 285; https://doi.org/10.3390/nano10020285
Received: 10 December 2019 / Revised: 19 January 2020 / Accepted: 20 January 2020 / Published: 7 February 2020
(This article belongs to the Special Issue Characterization, Synthesis and Applications of 2D Nanomaterials)
As a derivative material of graphene, graphene oxide films hold great promise in thermal management devices. Based on the theory of Fourier formula, we deduce the analytical formula of the thermal conductivity of graphene oxide films. The interlaminar thermal property of graphene oxide films is studied using molecular dynamics simulation. The effect of vacancy defect on the thermal conductance of the interface is considered. The interfacial heat transfer efficiency of graphene oxide films strengthens with the increasing ratio of the vacancy defect. Based on the theoretical model and simulation results, we put forward an optimization model of the graphene oxide film. The optimal structure has the minimum overlap length and the maximum thermal conductivity. An estimated optimal overlap length for the GO (graphene-oxide) films with degree of oxidation 10% and density of vacancy defect 2% is 0.33 μm. Our results can provide effective guidance to the rationally designed defective microstructures on engineering thermal transport processes. View Full-Text
Keywords: graphene-oxide films; thermal conductivity; interfacial thermal conductance; optimal overlap length graphene-oxide films; thermal conductivity; interfacial thermal conductance; optimal overlap length
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MDPI and ACS Style

Yang, Y.; Zhong, D.; Liu, Y.; Meng, D.; Wang, L.; Wei, N.; Ren, G.; Yan, R.; Kang, Y. Thermal Transport in Graphene Oxide Films: Theoretical Analysis and Molecular Dynamics Simulation. Nanomaterials 2020, 10, 285.

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