Tunable thermoelectric properties in bended graphene nanoribbons

doi:10.1088/1674-1056/25/7/078102

Abstract The ballistic thermoelectric properties in bended graphene nanoribbons (GNRs) are systematically investigated by using atomistic simulation of electron and phonon transport. We find that the electron resonant tunneling effect occurs in the metallic-semiconducting linked ZZ-GNRs (the bended GNRs with zigzag edge leads). The electron-wave quantum interference effect occurs in the metallic-metallic linked AA-GNRs (the bended GNRs with armchair edge leads). These different physical mechanisms lead to the large Seebeck coefficient S and high electron conductance in bended ZZ-GNRs/AA-GNRs. Combined with the reduced lattice thermal conduction, the significant enhancement of the figure of merit ZT is predicted. Moreover, we find that the ZT_\max (the maximum peak of ZT) is sensitive to the structural parameters. It can be conveniently tuned by changing the interbend length of bended GNRs. The magnitude of ZT ranges from the 0.15 to 0.72. Geometry-controlled ballistic thermoelectric effect offers an effective way to design thermoelectric devices such as thermocouples based on graphene.

Keywords: graphene nanoribbons thermoelectric properties quantum interference effect

Received: 01 February 2016
Revised: 25 March 2016
Accepted manuscript online:

PACS:	81.05.U-	(Carbon/carbon-based materials)
	73.63.-b	(Electronic transport in nanoscale materials and structures)
	72.20.Pa	(Thermoelectric and thermomagnetic effects)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 61401153) and the Natural Science Foundation of Hunan Province, China (Grant Nos. 2015JJ2050 and 14JJ3126).

Corresponding Authors: Jun He
E-mail: hejun@hnu.edu.cn

Cite this article:

Chang-Ning Pan(潘长宁), Jun He(何军), Mao-Fa Fang(方卯发) Tunable thermoelectric properties in bended graphene nanoribbons 2016 Chin. Phys. B 25 078102

[1]	Zhang Y B, Tan Y W, Stormer H L and Kim P 2005 Nature 438 201
[2]	Geim A K 2009 Science 324 1530
[3]	Wang Q, Xie H Q, Jiao H J, Li Z J and Nie Y H 2012 Chin. Phys. B 21 117310
[4]	Wu Z H, Xie H Q, Zhai Y B, Gan L H and Liu J 2015 Chin. Phys. B 24 034402
[5]	Yu Z, Guo Y, Zheng J and Chi F 2013 Chin. Phys. B 22 117303
[6]	Feng S K, Li S M and Fu H Z 2014 Chin. Phys. B 23 117202
[7]	Guo H H, Yang T, Tao P and Zhang Z D 2014 Chin. Phys. B 23 017201
[8]	Xue L, Xu B and Yi L 2014 Chin. Phys. B 23 037103
[9]	Kim R, Datta S and Lundstrom M S 2009 J. Appl. Phys. 105 034506
[10]	Zhou J and Yang R G 2011 Appl. Phys. Lett. 98 173107
[11]	Mazzamuto F, Nguyen V H, Apertet Y, Caër C, Chassat C, Martin J S and Dollfus P 2011 Phys. Rev. B 83 235426
[12]	Ouyang Y and Guo J 2009 Appl. Phys. Lett. 94 263107
[13]	Seol J H, Jo I, Moore A L, Lindsay L, Aitken Z H, Pettes M T, Li X, Yao Z, Huang R, Broido D, Mingo N, Ruoff R S and Shi L 2010 Science 328 213
[14]	Li W, Sevincli H, Cuniberti G and Roche S 2010 Phys. Rev. B 82 041410
[15]	Gunst T, Markussen T, Jauho A P and Brandbyge M 2011 Phys. Rev. B 84 155449
[16]	Chang P H and Nikolić B K 2012 Phys. Rev. B 86 041406
[17]	Jiang J W, Lan J H, Wang J S and Li B W 2010 J. Appl. Phys. 107 054314
[18]	Hu J, Schiffli S, Vallabhaneni A, Ruan X and Chen Y P 2010 Appl. Phys. Lett. 97 133107
[19]	Xu Y, Chen X B, Gu B L and Duan W H 2009 Appl. Phys. Lett. 95 233116
[20]	Wang J S, Wang J and Lü J T 2008 Eur. Phys. J. B 62 381
[21]	Jiang J W, Wang J S and Li B W 2011 J. Appl. Phys. 109 014326
[22]	Pan C N, Xie Z X, Tang L M and Chen K Q 2012 Appl. Phys. Lett. 101 103115
[23]	Wu Y and Yang X X 1997 Phys. Rev. Lett. 78 3086
[24]	Shi Q W, Zhou J and Wu M W 2004 Appl. Phys. Lett. 85 2547
[25]	Weisshaar A, Lary J, Goodnick S M and Tripathi V K 1989 Appl. Phys. Lett. 55 2114
[26]	Nie Y H, Zhang Y B, Liang J Q, et al. 1999 Physica B: Condensed Matter 270 95
[27]	Nie Y H, Jin Y H, Liang J Q, et al. 2000 J. Phys.: Conden. Matt. 12 L87
[28]	Li X Q and Yan Y J 2001 Appl. Phys. Lett. 79 2190

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