The effect of binding energy on optimizing the interfacial thermal transport in metal-MoS2-dielectric nanostructures

J Zhou and HB Zhao and XH Fan and KP Yuan and ZT Wang and ZY Zhang and DH Li and XL Zhang and HS Chen and DW Tang and XH Zheng and J Zhu, MATERIALS TODAY PHYSICS, 38, 101272 (2023).

DOI: 10.1016/j.mtphys.2023.101272

The development of MoS2-based devices presents a significant challenge due to the poor interfacial thermal transport of metal-MoS2-dielectric structures, which results in severe thermal dissipation issues. This work aims to investigate the effects of various strategies, including modifying metal electrodes, adjusting the number of MoS2 layers, and incorporating van der Waals heterostructures, on the enhancement of interface thermal conductance (ITC) of metal-MoS2-dielectric structures. The time-domain thermoreflectance method was applied to characterize the ITC and experimental results demonstrate that the effect of regulating metal electrodes depends on the binding energy between the metal-MoS2 interfaces, which is a matter of controversy due to the large dispersion of published results. Furthermore, the increase in the number of MoS2 layers does not necessarily lead to the enhancement of the ITC of metal- MoS2-dielectric structures, as this is a comprehensive reflection of the number of layers' influence on both thermal conductance of MoS2 itself and the ITC between MoS2 and the surrounding materials. The results from the heterostructures of hBN-MoS2 and Gr-MoS2 were then systematically compared, and the results indicate the potential of Gr-MoS2 heterostructures in augmenting ITC. In addition, the nonequilibrium molecular dynamics simulation was effectively employed to gain deeper insights into the effect of binding energy on optimizing the ITC of metal-heterostructures-dielectric nanostructures. Finally, the effectiveness of these strategies in enhancing thermal properties was discussed through an analysis of interfacial binding energy. This finding provides a valuable direction for enhancing the thermal management of MoS2-based devices.

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