联苯
石墨烯
异质结
材料科学
热稳定性
热导率
整改
热传导
凝聚态物理
化学物理
纳米技术
光电子学
热力学
化学
复合材料
物理
亚苯基
有机化学
功率(物理)
聚合物
作者
Kai Ren,Yan Chen,Huasong Qin,Wenlin Feng,Gang Zhang
摘要
The allotrope of carbon, biphenylene, was prepared experimentally recently [Fan et al., Science 372, 852–856 (2021)]. In this Letter, we perform first-principles simulation to understand the bonding nature and structure stability of the possible in-plane heterostructure built by graphene and biphenylene. We found that the graphene–biphenylene in-plane heterostructure only exhibits along the armchair direction, which is connected together by strong covalent bonds and energetically stable. Then, the non-equilibrium molecular dynamics calculations are used to explore the interfacial thermal properties of the graphene/biphenylene heterostructure. It is found that the graphene/biphenylene in-plane heterostructure possesses an excellent interfacial thermal conductance of 2.84 × 109 W·K−1·m−2 at room temperature. Importantly, the interfacial thermal conductance presents different temperature dependence under opposite heat flux direction. This anomalous temperature dependence results in increased thermal rectification ratio with temperature about 40% at 350 K. This work provides comprehensive insight into the graphene–biphenylene heterostructure and suggests a route for designing a thermal rectifier with high efficiency.
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