Hybrid graphene/hexagonal boron-nitride (G/h-BN) has shown significant physical properties and has been fabricated recently. Structural defects, such as Stone–Wales (SW) and vacancy, unavoidably exist in the interface of hybrid G/h-BN during the growth process. In this study, the interfacial thermal resistance (ITR) of armchair and zigzag hybrid G/h-BN with vacancy and SW defects is systematically investigated, using molecular dynamics (MD) simulations. Our results indicate that armchair edge hybrid G/h-BN possesses higher normalized ITR than the zigzag one. In addition, vacancy and SW defects introduced important influences on the ITR of hybrid G/h-BN. The ITR of hybrid G/h-BN is studied with two distinct sections. In the first section, various types of atoms, such as C, N and B, vacancy defects located throughout the interface of armchair and zigzag hybrid G/h-BN are studied. Our MD simulations results show that when the number of vacancy defect is increased, the effect of C atom vacancy defect on the normalized ITR of hybrid G/h-BN is higher than other atoms. On the other hand, the influence of B atom vacancy defect on the normalized ITR is lowest. In the second section, CC and BN types of SW defects positioned along the interface of armchair and zigzag hybrid G/h-BN are investigated. The results of this study demonstrate that CC type of SW defect shows higher normalized ITR than BN type one by increasing the SW number of defects. The obtained results in this study may open new insights for potential applications of thermal transport and control for the hybrid G/h-BN type structures.

杂化石墨烯/六方氮化硼（G / h -BN）已显示出显着的物理性能，并且最近已经被制造出来。在生长过程中，杂种G / h -BN的界面不可避免地存在结构缺陷，例如Stone-Wales（SW）和空位。在这项研究中，使用分子动力学（MD）模拟系统地研究了具有空位和SW缺陷的扶手椅和锯齿形杂种G / h -BN的界面热阻（ITR）。我们的结果表明，扶手椅边缘杂种G / h -BN具有比之字形更高的归一化ITR。另外，空位和SW缺陷对杂化G / h- BN的ITR产生重要影响。混合G / h的ITR-BN有两个截然不同的部分。在第一部分中，研究了各种类型的原子（例如C，N和B），这些原子遍布于扶手椅和Z字形杂化G / h -BN的整个界面。我们的MD模拟结果表明，当空位缺陷数增加时，C原子空位缺陷对杂化G / h -BN归一化ITR的影响要高于其他原子。另一方面，B原子空位缺陷对归一化ITR的影响最小。在第二部分中，CC和BN类型的SW缺陷沿着扶手椅和锯齿形混合G / h的界面定位-BN被调查。这项研究的结果表明，通过增加SW缺陷数量，CC型SW缺陷显示出比BN型更高的归一化ITR。在这项研究中获得的结果可能会为混合G / h -BN型结构的热输运和控制的潜在应用开辟新的见解。