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Effects of Divacancy and Extended Line Defects on the Thermal Transport Properties of Graphene Nanoribbons

机译:脱模和延伸线缺陷对石墨烯纳米带的热输运性质的影响

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摘要

The effects of divacancy, including isolated defects and extended line defects (ELD), on the thermal transport properties of graphene nanoribbons (GNRs) are investigated using the Nonequilibrium Green’s function method. Different divacancy defects can effectively tune the thermal transport of GNRs and the thermal conductance is significantly reduced. The phonon scattering of a single divacancy is mostly at high frequencies while the phonon scattering at low frequencies is also strong for randomly distributed multiple divacancies. The collective effect of impurity scattering and boundary scattering is discussed, which makes the defect scattering vary with the boundary condition. The effect on thermal transport properties of a divacancy is also shown to be closely related to the cross section of the defect, the internal structure and the bonding strength inside the defect. Both low frequency and high frequency phonons are scattered by 48, d5d7 and t5t7 ELD. However, the 585 ELD has almost no influence on phonon scattering at low frequency region, resulting in the thermal conductance of GNRs with 585 ELD being 50% higher than that of randomly distributed 585 defects. All these results are valuable for the design and manufacture of graphene nanodevices.
机译:使用非平衡格林函数方法研究了空位(包括孤立缺陷和延伸线缺陷(ELD))对石墨烯纳米带(GNR)的热输运性能的影响。不同的空位缺陷可以有效地调节GNR的热传递,并且热导率显着降低。单个空位的声子散射大部分在高频,而低频的声子散射对于随机分布的多个空位也很强。讨论了杂质散射和边界散射的集体效应,使缺陷散射随边界条件而变化。还显示出对空位的热传输性能的影响与缺陷的横截面,内部结构和缺陷内部的结合强度密切相关。低频和高频声子都被48,d5d7和t5t7 ELD散射。但是,585 ELD对低频区域的声子散射几乎没有影响,导致GNR的585 ELD的导热系数比随机分布的585缺陷的导热系数高50%。所有这些结果对于石墨烯纳米器件的设计和制造是有价值的。

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