Engineering enhanced thermoelectric properties in zigzag graphene nanoribbons
Engineering enhanced thermoelectric properties in zigzag graphene nanoribbons
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DOI：
10.1063/1.3688034
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发表时间：
2012-03-01
影响因子：
3.2
通讯作者：
Kosina, Hans
中科院分区：
文献类型：
--
作者：
Karamitaheri, Hossein;Neophytou, Neophytos;Kosina, Hans
我们从理论上研究了锯齿形石墨烯纳米带在存在延长线缺陷、基底杂质和沿纳米带长度的边缘粗糙度的情况下的热电特性。使用电子结构的最近邻紧束缚模型和声子能带结构的第四最近邻力常数模型。对于传输，我们采用量子力学非平衡格林函数模拟。从表现出非常差的热电性能的原始锯齿形纳米带结构开始，我们展示了如何在一系列工程设计步骤之后可以大大提高性能。我们的结果可用于设计高效的纳米结构石墨烯纳米带热电器件。 (C) 2012 年美国物理研究所。 [http://dx.doi.org/10.1063/1.3688034]
We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities, and edge roughness along the nanoribbon's length. A nearest-neighbor tight-binding model for the electronic structure and a fourth nearest-neighbor force constant model for the phonon bandstructure are used. For transport, we employ quantum mechanical non-equilibrium Green's function simulations. Starting from the pristine zigzag nanoribbon structure that exhibits very poor thermoelectric performance, we demonstrate how after a series of engineering design steps the performance can be largely enhanced. Our results could be useful in the design of highly efficient nanostructured graphene nanoribbon-based thermoelectric devices. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3688034]