多晶石墨烯的晶格热导率和声子特性

Kunwar Abhikeern, Amit Singh
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引用次数: 0

摘要

利用谱能密度法,我们预测了室温下仅沿 $\rm{x}$ 轴具有多晶度的多晶石墨烯(PC-G)的声子散射平均寿命,以及七种不同的错向(倾斜)角。与其他关于 PC-G 样品的研究相反,我们的研究结果表明热导率(TC)与倾斜角有很大关系。我们还发现,对于不同倾斜角的所有样品,沿 $\rm{x}$ 和 $\rm{y}$ 轴的群速度分量平方和声子寿命是不相关的,声子状态密度几乎相同。此外,我们还发现沿 $\rm{x}$ 或 $\rm{y}$ 轴的群速度分量的分布是指数衰减的,而声子寿命的分布则表现出与频率有关的片断恒定函数行为。我们提供了这些分布函数的参数,并提出了基于这些分布的另一种 TC 测量方法。最后,我们对 21.78^\circ$ 和 32.20^\circ$ 两个倾斜角进行了尺寸依赖性分析,发现与原始石墨烯的体 TC 值相比,体 TC 分量减少了约 34% 到 62%。我们的分析揭示了晶粒取向、声子散射和石墨烯热导率之间的相互作用。
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Lattice thermal conductivity and phonon properties of polycrystalline graphene
Using spectral energy density method, we predict the phonon scattering mean lifetimes of polycrystalline graphene (PC-G) having polycrystallinity only along $\rm{x}$-axis with seven different misorientation (tilt) angles at room temperature. Contrary to other studies on PC-G samples, our results indicate strong dependence of the thermal conductivity (TC) on the tilt angles. We also show that the square of the group velocity components along $\rm{x}$ and $\rm{y}$ axes and the phonon lifetimes are uncorrelated and the phonon density of states are almost the same for all samples with different tilt angles. Further, a distribution of the group velocity component along $\rm{x}$ or $\rm{y}$ axis as function of normal frequency is found to be exponentially decaying whereas that of phonon lifetime showed piecewise constant function behavior with respect to frequency. We provide parameters for these distribution functions and suggest another measure of the TC based on these distributions. Finally, we perform a size-dependent analysis for two tilt angles, $21.78^\circ$ and $32.20^\circ$, and find that bulk TC components decrease by around 34% to 62% in comparison to the bulk TC values of the pristine graphene. Our analysis reveals intriguing insights into the interplay between grain orientation, phonon scattering and thermal conductivity in graphene.
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