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International Heat Transfer Conference 16

ISSN: 2377-424X (online)
ISSN: 2377-4371 (flashdrive)

ENHANCING THE INTERFACIAL THERMAL CONDUCTION OF GRAPHENE SHEETS BY BOND CONNECTION

Kai-Xuan Chen
Sun Yat-sen University, 135 Xin Gang Xi Rd. Haizhu District, Guangzhou 510275, China

Dong-Chuan Mo
School of Chemical Engineering and Technology, Sun Yat-sen University, Guangzhou, Guangdong, China; Guangdong Engineering Technology Research Centre for Advanced Thermal Control Material and System Integration (ATCMSI), Guangzhou 510275, P. R. China

Min-Shan Li
Sun Yat-sen University, 135 Xin Gang Xi Rd. Haizhu District, Guangzhou 510275, China

Shu-Shen Lyu
School of Chemical Engineering and Technology, Sun Yat-sen University, Guangzhou, Guangdong, China; Guangdong Engineering Technology Research Centre for Advanced Thermal Control Material and System Integration (ATCMSI), Guangzhou 510275, P. R. China.

DOI: 10.1615/IHTC16.mpe.023757
pages 6111-6117


KEY WORDS: phonon transport, graphene sheet, interfacial thermal resistance, first-principles, density functional theory

Abstract

Heat transfer through individual graphene sheets is significantly hindered by boundary phonon dissipation. An effective way to get rid of such dissipation is to form chemical bond-bond connection between the graphene sheets, which acts like a thermal bridge. Using first-principles calculation, we investigate the interfacial thermal transport of graphene sheets which are bonded by different kinds of chemical functional groups. Density functional theory as well as non-equilibrium Green's function method are used to calculate the thermal transport performance of these systems. Cases when Van der Waals force, metallic groups and organic groups like hydroxyl and carboxyl act as the thermal bridge are studied. Our results find out that the interfacial thermal resistance of graphene sheets is much higher than their intrinsic thermal resistance. As the distance between the graphene sheets increase, the resistance increases exponentially as the Van der Waals force decreases heavily. When organic groups and metallic groups are introduced at the interface, the thermal resistance are so much lower than that of Van der Waals force. The thermal conductance can be reserved as high as 10% of the pristine graphene sheets when metallic groups are adopted. Our results reveal the conduction mechanism at the nanoscale graphene junction. It points out that bond connection provides an enhancement in the interfacial transport performance of the graphene sheets, which might enlarge their thermal conductivity at the practical application.

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