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首页> 外文期刊>Carbon: An International Journal Sponsored by the American Carbon Society >Effect of pentagon-heptagon defect on thermal transport properties in graphene nanoribbons
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Effect of pentagon-heptagon defect on thermal transport properties in graphene nanoribbons

机译:五边形-七边形缺陷对石墨烯纳米带热输运性能的影响

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摘要

The thermal transport properties of graphene nanoribbons (GNRs) with pentagon-hepta-gon defect (PHD) are studied by using first principles calculations in combination with non-equilibrium Green's function approach. The results show that the PHD effect on ther-mal conduction in armchair-oriented GNR is stronger than that in zigzag-oriented GNR. The out-of-plane acoustic mode is almost reflected by the PHD at a particular frequency. When the temperature is larger than 400 K, the thermal conduction ratio is only related to the PHD's orientation, and insensitive to the width of PHD. These results will be helpful for designing high-performance thermal insulation or thermoelectric device.
机译:利用第一原理计算结合非平衡格林函数方法研究了具有五边形-七边形缺陷(PHD)的石墨烯纳米带(GNR)的热输运性质。结果表明,PHD对扶手椅导向的GNR热传导的影响要强于锯齿形GNR。平面外声学模式几乎在特定频率下被PHD反射。当温度大于400 K时,热传导率仅与PHD的方向有关,而对PHD的宽度不敏感。这些结果将有助于设计高性能的隔热或热电设备。

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