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Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values / Shuo Deng; Lijie Li; Paul Rees

Carbon, Volume: 155, Pages: 438 - 444

Swansea University Authors: Shuo, Deng, Lijie, Li, Paul, Rees

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Abstract

We investigate the thermoelectric performance of armchair graphene nanoribbon (AGNR), bilayer GNRs junction (BGNRJ) and BGNRJ with holes (BGNRJ-H) by the first principles calculation with non-equilibrium Green function. It is found that the BGNRJ-H exhibits high ZT values of 9.65 and 5.55 at 300K. T...

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Published in: Carbon
ISSN: 0008-6223
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa51703
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first_indexed 2019-09-06T04:44:10Z
last_indexed 2021-01-16T04:12:41Z
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spelling 2021-01-15T10:26:10.3586545 v2 51703 2019-09-05 Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values 037acf91509a82a0855c555d3cfe00ae Shuo Deng Shuo Deng true false ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 537a2fe031a796a3bde99679ee8c24f5 0000-0002-7715-6914 Paul Rees Paul Rees true false 2019-09-05 EEN We investigate the thermoelectric performance of armchair graphene nanoribbon (AGNR), bilayer GNRs junction (BGNRJ) and BGNRJ with holes (BGNRJ-H) by the first principles calculation with non-equilibrium Green function. It is found that the BGNRJ-H exhibits high ZT values of 9.65 and 5.55 at 300K. The reason of these significantly larger ZT values than previously observed has been calculated due to reduced thermal conductivity and enhanced electrical conductivity. The low thermal conductance comes from the van der Waals (vdW) interaction between two graphene layers. The increased electrical conductivity can be attributed to the coupling effect of aligned holes in both layers. It is found from analysis results that the electron transmission of the BGNRJ-H is much stronger than a normal BGNRJ, which gives rise to the higher electrical conductance and outstanding ZT values. Journal Article Carbon 155 438 444 0008-6223 Graphene nanoribbon junction with aligned holes; Thermoelectric; First principles method 1 12 2019 2019-12-01 10.1016/j.carbon.2019.09.012 COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2021-01-15T10:26:10.3586545 2019-09-05T21:49:08.9681131 Shuo Deng 1 Lijie Li 0000-0003-4630-7692 2 Paul Rees 0000-0002-7715-6914 3 0051703-05092019215538.pdf 1-s2.0-S000862231930911X-main.pdf 2019-09-05T21:55:38.8770000 Output 3292169 application/pdf Accepted Manuscript true 2020-09-04T00:00:00.0000000 © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ false eng
title Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
spellingShingle Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
Shuo, Deng
Lijie, Li
Paul, Rees
title_short Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
title_full Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
title_fullStr Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
title_full_unstemmed Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
title_sort Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values
author_id_str_mv 037acf91509a82a0855c555d3cfe00ae
ed2c658b77679a28e4c1dcf95af06bd6
537a2fe031a796a3bde99679ee8c24f5
author_id_fullname_str_mv 037acf91509a82a0855c555d3cfe00ae_***_Shuo, Deng
ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie, Li
537a2fe031a796a3bde99679ee8c24f5_***_Paul, Rees
author Shuo, Deng
Lijie, Li
Paul, Rees
author2 Shuo Deng
Lijie Li
Paul Rees
format Journal article
container_title Carbon
container_volume 155
container_start_page 438
publishDate 2019
institution Swansea University
issn 0008-6223
doi_str_mv 10.1016/j.carbon.2019.09.012
document_store_str 1
active_str 0
description We investigate the thermoelectric performance of armchair graphene nanoribbon (AGNR), bilayer GNRs junction (BGNRJ) and BGNRJ with holes (BGNRJ-H) by the first principles calculation with non-equilibrium Green function. It is found that the BGNRJ-H exhibits high ZT values of 9.65 and 5.55 at 300K. The reason of these significantly larger ZT values than previously observed has been calculated due to reduced thermal conductivity and enhanced electrical conductivity. The low thermal conductance comes from the van der Waals (vdW) interaction between two graphene layers. The increased electrical conductivity can be attributed to the coupling effect of aligned holes in both layers. It is found from analysis results that the electron transmission of the BGNRJ-H is much stronger than a normal BGNRJ, which gives rise to the higher electrical conductance and outstanding ZT values.
published_date 2019-12-01T04:13:18Z
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score 10.781122