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首页> 外文期刊>RSC Advances >Strong interfacial interactions induced a large reduction in lateral thermal conductivity of transition-metal dichalcogenide superlattices
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Strong interfacial interactions induced a large reduction in lateral thermal conductivity of transition-metal dichalcogenide superlattices

机译：强烈的界面相互作用诱导过渡金属二甲基化物超晶格的横向导热率大大降低

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van der Waals heterostructures formed by vertically stacking two-dimensional (2D) crystals can not only harness the already fascinating properties of their constituent monolayers but also extend them due to the coupled interlayer interactions. With their emerged interlayer and intralayer excitons, 2D transition metal dichalcogenides (TDMC) crystals and their heterostructures have drawn growing attention for the applications of nanoelectronics, optoelectronics and nanophotonics. Yet, there are few studies on how interlayer and interfacial interactions influence the thermal transport in TDMC heterostructures which is critical for heat management. In this work, we investigate the lateral and out-of-the-plane thermal conductivity ( κ ) of four prototype TDMC heterostructures (bilayer MoS _(2) and WS _(2) , heterobilayer MoS _(2) /WS _(2) and superlattice MoS _(2) /WS _(2) ) by solving the phonon Boltzmann transport equation from first-principles. The calculated room-temperature lateral κ of bilayer MoS _(2) and WS _(2) are 61.13 W m ~(?1) K ~(?1) and 87.52 W m ~(?1) K ~(?1) , respectively, in reasonable agreement with literature experiments. The weak interlayer interactions in the heterobilayer MoS _(2) /WS _(2) help preserve the high lateral thermal transport (70.01 W m ~(?1) K ~(?1) ) of its constituent monolayer. In the superlattice MoS _(2) /WS _(2) , there exist strong interlayer and interfacial interactions between the alternating MoS _(2) and WS _(2) monolayer which reduce the lateral κ to be 7.22 W m ~(?1) K ~(?1) by a factor of 10. The greatly reduced lateral κ of the superlattice mainly arises from the low phonon relaxation time, which indicates the existence of strong interfacial anharmonic phonon scattering. This work aims at uncovering the physics of emerged thermal transport properties in TDMC heterostructures and helps advance their applications in heat management among nanoelectronics and optoelectronics.
机译：通过垂直堆叠二维（2D）晶体形成的范德瓦尔斯异质结构不仅可以利用它们的组成单层的已经迷恋性质，而且还通过耦合的层间相互作用来延伸它们。通过其出现的中间层和腔内激子，2D过渡金属二均甲基化物（TDMC）晶体及其异质结构对纳米电子，光电子和纳米液相色的应用产生了越来越长的关注。然而，少数关于层间和界面相互作用如何影响热量管理至关重要的TDMC异质结构中的热传输的研究。在这项工作中，我们研究了四种原型TDMC异质结构（双层MOS _（2）和WS _（2），异质层MOS _（2）/ WS _（）的侧面和外平面热导率（κ）。 2）通过求解第一原理的声子Boltzmann传输方程，和超晶格MOS _（2）/ WS _（2））。双层MOS _（2）和WS _（2）的计算室温横向κ为61.13Wm〜（？1）k〜（？1）和87.52 W m〜（？1）k〜（？1）分别与文献实验合理一致。杂双层MOS _（2）/ WS _（2）中的弱层间相互作用有助于其构成单层的高横向热传输（70.01Wm〜（α1）k〜（β1））。在超晶格MOS _（2）/ WS _（2）中，交替MOS _（2）和WS _（2）单层之间存在强的层间和界面相互作用，其减少横向κ为7.22WM〜（？ 1）k〜（α1）为10倍。超晶格的大大减少横向κ主要是从低位弛豫时间出现，这表明存在强的界面anharmonic声子散射的存在。这项工作旨在在TDMC异质结构中揭示出现的热传输性能的物理学，并有助于将其在纳米电子和光电子中的热管理中推进。

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