Islam Md Sherajul, Mia Imon, Ahammed Shihab, Stampfl Catherine, Park Jeongwon
Department of Electrical and Electronic Engineering, Khulna University of Engineering and Technology, Khulna, 9203, Bangladesh.
School of Physics, The University of Sydney, Sydney, NSW, 2006, Australia.
Sci Rep. 2020 Dec 16;10(1):22050. doi: 10.1038/s41598-020-78472-2.
Graphene based van der Waals heterostructures (vdWHs) have gained substantial interest recently due to their unique electrical and optical characteristics as well as unprecedented opportunities to explore new physics and revolutionary design of nanodevices. However, the heat conduction performance of these vdWHs holds a crucial role in deciding their functional efficiency. In-plane and out-of-plane thermal conduction phenomena in graphene/2D-SiC vdWHs were studied using reverse non-equilibrium molecular dynamics simulations and the transient pump-probe technique, respectively. At room temperature, we determined an in-plane thermal conductivity of ~ 1452 W/m-K for an infinite length graphene/2D-SiC vdWH, which is superior to any graphene based vdWHs reported yet. The out-of-plane thermal resistance of graphene → 2D-SiC and 2D-SiC → graphene was estimated to be 2.71 × 10 km/W and 2.65 × 10 km/W, respectively, implying the absence of the thermal rectification effect in the heterobilayer. The phonon-mediated both in-plane and out-of-plane heat transfer is clarified for this prospective heterobilayer. This study furthermore explored the impact of various interatomic potentials on the thermal conductivity of the heterobilayer. These findings are useful in explaining the heat conduction at the interfaces in graphene/2D-SiC vdWH and may provide a guideline for efficient design and regulation of their thermal characteristics.
基于石墨烯的范德华异质结构（vdWHs）近来因其独特的电学和光学特性以及探索新物理和纳米器件革命性设计的前所未有的机会而备受关注。然而，这些vdWHs的热传导性能在决定其功能效率方面起着关键作用。分别使用反向非平衡分子动力学模拟和瞬态泵浦 - 探测技术研究了石墨烯/二维碳化硅vdWHs中的面内和面外热传导现象。在室温下，我们确定了无限长石墨烯/二维碳化硅vdWH的面内热导率约为1452 W/m-K，这优于迄今报道的任何基于石墨烯的vdWHs。石墨烯→二维碳化硅和二维碳化硅→石墨烯的面外热阻分别估计为2.71×10 km/W和2.65×10 km/W，这意味着异质双层中不存在热整流效应。阐明了这种潜在异质双层中声子介导的面内和面外热传递。本研究还探讨了各种原子间势对异质双层热导率的影响。这些发现有助于解释石墨烯/二维碳化硅vdWH界面处的热传导，并可能为其热特性的高效设计和调控提供指导。
