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High thermoelectric performance of graphite nanofibers

机译：高热电性能的石墨纳米纤维

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摘要

Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an excellent material for thermoelectric applications thanks to the interlayer weak van der Waals interaction that induces low thermal conductance and a step-like shape in the electronic transmission with mini-gaps, which are necessary ingredients to achieve high thermoelectric performance. This study unveils that the platelet form of GNFs in which graphite layers are perpendicular to the fiber axis can exhibit outstanding thermoelectric properties with a figure of merit ZT reaching 3.55 in a 0.5 nm diameter fiber and 1.1 in a 1.1 nm diameter one. Interestingly, by introducing C-14 isotope doping, ZT can even be enhanced up to more than 5, and more than 8 if we include the effect of finite phonon mean free path, which demonstrates the amazing thermoelectric potential of GNFs.
机译：石墨纳米纤维(GNFs)是一种很有前景的储氢材料在电子设备和热管理。通过采用基于和运输模拟中,我们表明,GNFs也可以的优秀的材料热电应用程序由于层间弱的范范德华相互作用,引起低热电导和梯状的形状电子传输mini-gaps,必要的成分来实现高热电性能。的血小板形成GNFs石墨层垂直于纤维轴表现出杰出的热电性能与品质因数ZT型达到3.55,0.5纳米纤维直径在1.1和1.1 nm直径一个。兴奋剂,ZT型甚至可以增强超过5、如果我们包括的影响超过8有限声子平均自由程,它演示了神奇的热电GNFs的潜力。

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