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arXiv 1901.02447cond-mat.mes-hall
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二维$MoS_{2}$界面的边界热导

Thermal Boundary Conductance of Two-Dimensional $MoS_{2}$ Interfaces

Saurabh V. Suryavanshi, Alexander J. Gabourie, Amir Barati Farimani, Eric Pop

摘要:

了解二维(2D)材料和器件的热特性对于2D应用的热管理至关重要。在这里,我们进行分子动力学模拟,以评估这两个比热的$MoS_{2}$以及热边界传导(TBC)之间的一至五层的$MoS_{2}$与非晶$SiO_{2}$和单层$MoS_{2}$和结晶$AlN$。所有的计算结果进行了比较,现有的实验数据。通常,由于材料之间的弱范德华(vdW)耦合和声子态密度(PDOS)的失配,这种2D界面的TBC是低的,低于~20 $MWm^{-2}K^{-1}$。然而,TBC随着vdW耦合强度、温度和$MoS_{2}$层的数量(其引入额外的声子模式)而增加。这些发现表明,通过调节界面相互作用、层数和找到与PDOS匹配的衬底,2D材料的TBC是可调的,这对未来节能的2D电子学、光子学和热电学具有重要意义。

英文摘要:

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as well as the thermal boundary conductance (TBC) between one to five layers of $MoS_{2}$ with amorphous $SiO_{2}$ and between single-layer $MoS_{2}$ and crystalline $AlN$. The results of all calculations are compared to existing experimental data. In general, the TBC of such 2D interfaces is low, below ~20 $MWm^{-2}K^{-1}$, due to the weak van der Waals (vdW) coupling and mismatch of phonon density of states (PDOS) between materials. However, the TBC increases with vdW coupling strength, with temperature, and with the number of $MoS_{2}$ layers (which introduce additional phonon modes). These findings suggest that the TBC of 2D materials is tunable by modulating their interface interaction, the number of layers, and finding a PDOS-matched substrate, with important implications for future energy-efficient 2D electronics, photonics, and thermoelectrics.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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