Interfacial thermal conductance in graphene/MoS₂ heterostructures

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• 作者：Zhiwei Ding^a ; Qing-Xiang Pei^a ; ^{peiqx@ihpc.a-star.edu.sg" class="auth_mail" title="E-mail the corresponding author} ; Jin-Wu Jiang^b ; ^{jwjiang5918@hotmail.com" class="auth_mail" title="E-mail the corresponding author} ; Wenxuan Huang^c ; Yong-Wei Zhang^a ; ^{zhangyw@ihpc.a-star.edu.sg" class="auth_mail" title="E-mail the corresponding author}
• 刊名：Carbon
• 出版年：2016
• 出版时间：January 2016
• 年：2016
• 卷：96
• 期：Complete
• 页码：888-896
• 全文大小：1927 K

文摘

Using non-equilibrium molecular dynamics simulations, we investigate the thermal transport in van der Waals heterostructures consisting of alternating multilayer graphene and multilayer MoS₂. It is found that the thermal conductance at graphene/MoS₂ (G/M) interface is much lower than that at graphene/graphene (G/G) and MoS₂/MoS₂ (M/M) interfaces. This low interfacial thermal conductance is attributed to the low friction at G/M interface, which significantly reduces the contribution of shearing modes to the thermal conductance. It is also found that there is no thermal rectification at the G/M interface as the thermal conductance is independent on the heat flux direction. Moreover, the interfacial thermal conductance can be effectively tuned by cross-plane strain. More specifically, a 5% tensile strain is able to reduce the interfacial thermal conductance by 70%; while a 5% compressive strain is able to increase the thermal conductance by 150%. Unexpectedly, the G/M interfacial thermal conductance is found to increase with increasing the defect density near the interface, which is in strong contrast to the in-plane thermal conductivity. This unexpected increase in thermal conductance can be explained by the enhanced phonon coupling at the G/M interface arising from the enhanced interface friction caused by the defects.