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arXiv 1803.01029cond-mat.mes-hall
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通过分子反共振的组合调节石墨烯中的热输运

Tuning thermal transport in graphene via combinations of molecular antiresonances

Koray Sevim, Hâldun Sevinçli

摘要:

我们提出了一种方法来工程的声子热输运性质的低维系统。该方法依赖于引入分子吸附物的预定组合,其在特定于分子种类的频率下产生反共振。尽管它们的透射光谱不同,但由于单个分子的热阻对于所有物种几乎保持相同。另一方面,由于不同物种的组合而产生的耐热性不是加和性的,并且根据物种而显示出很大的差异。利用一个玩具模型,研究了违反电阻求和规则的物理基础。结果表明,具有相同电阻的两个散射体的等效电阻可以接近各组成部分之和或其$\sim$的70%,这取决于反共振的相对位置.反谐振的相对位置决定了传输的净变化,因此也决定了等效电阻。由于整个光谱都涉及声子谱,所以光谱不同部分的变化变得很重要。执行广泛的第一性原理为基础的计算,我们表明,这些独特的属性的声子输运可以是有用的,通过低维材料,特别是热电和热管理应用定制的热输运。

英文摘要:

We propose a method to engineer the phonon thermal transport properties of low dimensional systems. The method relies on introducing a predetermined combination of molecular adsorbates, which give rise to antiresonances at frequencies specific to the molecular species. Despite their dissimilar transmission spectra, thermal resistances due to individual molecules remain almost the same for all species. On the other hand, thermal resistance due to combinations of different species are not additive and show large differences depending on the species. Using a toy model, the physics underlying the violation of resistance summation rule is investigated. It is demonstrated that equivalent resistance of two scatterers having the same resistances can be close to the sum of the constituents or $\sim$70\% of it depending on the relative positions of the antiresonances. The relative positions of the antiresonances determine the net change in transmission, therefore the equivalent resistance. Since the entire spectrum is involved in phonon spectrum changes in different parts of the spectrum become important. Performing extensive first-principles based computations, we show that these distinctive attributes of phonon transport can be useful to tailor the thermal transport through low dimensional materials, especially for thermoelectric and thermal management applications.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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