Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values

Shuo Deng; Lijie Li; Paul Rees

doi:10.1016/j.carbon.2019.09.012

Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values

Shuo Deng, Lijie Li, Paul Rees

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

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. 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.

Original language	English (US)
Pages (from-to)	438-444
Number of pages	7
Journal	Carbon
Volume	155
DOIs	https://doi.org/10.1016/j.carbon.2019.09.012
State	Published - Dec 2019

Keywords

First principles method
Graphene nanoribbon junction with aligned holes
Thermoelectric

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)

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10.1016/j.carbon.2019.09.012

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title = "Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values",

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. 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.",

keywords = "First principles method, Graphene nanoribbon junction with aligned holes, Thermoelectric",

author = "Shuo Deng and Lijie Li and Paul Rees",

note = "Funding Information: This work was supported by the China Scholarship Council (CSC) and the European Regional Development Fund (ERDF) for the funding of the Solar Photovoltaic Academic Research Consortium (SPARC II) . Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",

year = "2019",

month = dec,

doi = "10.1016/j.carbon.2019.09.012",

language = "English (US)",

volume = "155",

pages = "438--444",

journal = "Carbon",

issn = "0008-6223",

publisher = "Elsevier Limited",

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T1 - Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values

AU - Deng, Shuo

AU - Li, Lijie

AU - Rees, Paul

N1 - Funding Information: This work was supported by the China Scholarship Council (CSC) and the European Regional Development Fund (ERDF) for the funding of the Solar Photovoltaic Academic Research Consortium (SPARC II) . Publisher Copyright: © 2019 Elsevier Ltd

PY - 2019/12

Y1 - 2019/12

N2 - 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.

AB - 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.

KW - First principles method

KW - Graphene nanoribbon junction with aligned holes

KW - Thermoelectric

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EP - 444

JO - Carbon

JF - Carbon

SN - 0008-6223

ER -

Bilayer graphene nanoribbons junction with aligned holes exhibiting high ZT values

Abstract

Keywords

ASJC Scopus subject areas

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