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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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摘要

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 (k) of four prototype TDMC heterostructures (bilayer MoS2 and WS2, heterobilayer MoS2/WS2 and superlattice MoS2/WS2) by solving the phonon Boltzmann transport equation from first-principles. The calculated room-temperature lateral k of bilayer MoS2 and WS2 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 MoS2/ WS2 help preserve the high lateral thermal transport (70.01 W m (-1) K-1) of its constituent monolayer. In the superlattice MoS2/ WS2, there exist strong interlayer and interfacial interactions between the alternating MoS2 and WS2 monolayer which reduce the lateral k to be 7.22 W m (-1) K-1 by a factor of 10. The greatly reduced lateral k 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，我们通过求解声子Boltzmann传送方程，研究四种原型TDMC异质结构（双层MOS2和WS2，异双层MOS2 / WS2和超晶片MOS2 / WS2）的横向和平面外导电性（K）第一原则。双层MOS2和WS2的计算室温横向k分别与文献实验合理协议，分别是61.13WM（-1）k-1和87.52Wm（-1）k-1。异质层MOS2 / WS2中的弱层间相互作用有助于保持其组成单层的高横向热传输（70.01Wm（-1）K-1）。在超晶格MOS2 / WS2中，在交替MOS2和WS2单层之间存在强的层间和界面相互作用，其将横向k减少至7.22Wm（-1）k-1的10倍。大大​​减少的横向k超晶格主要由低位弛豫时间出现，这表明存在强界面的界面anharconic声子散射。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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  • 来源
    《RSC Advances》 |2019年第3期|共7页
  • 作者

    Zhang Wenjie; Yang Jia-Yue; Liu Linhua;

  • 作者单位

    Shandong Univ Sch Energy &

    Power Engn Qingdao 266237 Peoples R China;

    Shandong Univ Sch Energy &

    Power Engn Qingdao 266237 Peoples R China;

    Shandong Univ Sch Energy &

    Power Engn Qingdao 266237 Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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