Department of Mining and Materials Engineering, McGill University, Montreal, QC, Canada.
J Phys Condens Matter. 2013 Nov 6;25(44):445007. doi: 10.1088/0953-8984/25/44/445007. Epub 2013 Oct 3.
The thermal transport properties of hybrid graphene/h-BN heterostructures are investigated using atomistic simulations. While the thermal conductivity is observed to be significantly limited perpendicular to the graphene/h-BN interface, it is tunable via a composition parallel to the interface. In particular we show that the thermal transport parallel to the interface can be understood by viewing the hybrid system as a series of individual embedded graphene nanoribbons (GNRs) constrained by neighboring h-BN. A mechanistic model is proposed to relate the thermal conductivities of the embedded and free-standing GNRs through a linear function of the composition. The model predictions are demonstrated to be in good agreement with the simulation results.
利用原子模拟研究了杂化石墨烯/六方氮化硼异质结构的热输运性质。尽管发现垂直于石墨烯/六方氮化硼界面的热导率受到显著限制，但通过与界面平行的组成可以进行调节。具体来说，我们通过将混合系统视为由相邻的 h-BN 约束的单个嵌入式石墨烯纳米带 (GNR) 的串联来理解平行于界面的热输运。提出了一个机械模型，通过组成的线性函数将嵌入式和自由-standing GNR 的热导率联系起来。模型预测与模拟结果吻合良好。
