Thermal rectification (TR) in graphene/boron nitride (GBN) monolayer heterosheets containing various types of interfacial structures has been studied using molecular dynamic simulations. The TR effect is ascribed to the asymmetric heat flow caused by mismatched PDOS of graphene and BN in the boundary. Additionally, the dependences of TR effects on boundary structures and defects are discussed. At a temperature difference of 240 K and interfacial chirality angle of 30°, a TR ratio as high as 334% is obtained. Our studies prove that the TR effect of GBN could be effectively regulated by controlling the interfacial structures and defects, and our analyses provide guidance on the structural designs of unique thermal management materials.

中文翻译：

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界面控制的单层石墨烯/氮化硼异质片热整流现象

使用分子动力学模拟研究了包含各种界面结构的石墨烯/氮化硼（GBN）单层异质片中的热精馏（TR）。TR效应归因于边界中石墨烯和BN的PDOS不匹配导致的不对称热流。另外，讨论了TR效应对边界结构和缺陷的依赖性。在240 K的温差和30°的界面手性角下，TR比率高达334％。我们的研究证明，通过控制界面结构和缺陷可以有效地调节GBN的TR效应，我们的分析为独特的热管理材料的结构设计提供了指导。