High thermoelectric performance of graphite nanofibers†,Nanoscale

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High thermoelectric performance of graphite nanofibers†
Nanoscale ( IF 5.8 ) Pub Date : 2018-01-18 00:00:00 , DOI: 10.1039/c7nr07817j
Van-Truong Tran _{1,

2,

3,

4,

5} , Jérôme Saint-Martin _{3,

4,

6,

7,

8} , Philippe Dollfus _{3,

4,

6,

7,

8} , Sebastian Volz _{1,

2,

3,

4,

5}

Affiliation

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 ¹⁴C 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.

中文翻译：

石墨纳米纤维的高热电性能†

石墨纳米纤维（GNF）已被证明是用于电子设备中氢存储和热管理的有前途的材料。在这里，通过第一性原理和传输模拟，我们表明，由于层间弱范德华相互作用会导致低热导率和电子传输中的阶梯状形状，GNFs也是热电应用的优良材料。微型间隙，是实现高热电性能的必要成分。这项研究表明，石墨层垂直于纤维轴的GNFs片状结构可以表现出出色的热电性能，在0.5 nm直径的纤维中ZT的品质因数达到3.55，在1.1 nm直径的纤维中ZT的品质因数ZT达到1.1。有趣的是，通过介绍^在14 C同位素掺杂中，如果加上有限声子平均自由程的影响，则ZT甚至可以提高到5以上和8以上，这证明了GNF的惊人热电势。

更新日期：2018-01-18

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