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Issue 36, 2013
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First-principles study of the thermoelectric properties of strained graphenenanoribbons

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Abstract

We study the transport properties, in particular the thermoelectric figure of merit (ZT), of armchair graphene nanoribbons, AGNR-N (for N = 4–12, with widths ranging from 3.7 to 13.6 Å), through strain engineering, where N is the number of carbon dimer lines across the AGNR width. We find that the tensile strain applied to AGNR-N changes the transport properties by modifying the electronic structures and phonon dispersion relationships. The tensile strain increases the ZT value of the AGNR-N families with N = 3p and N = 3p + 2, where p is an integer. Our analysis based on accurate density-functional theory calculations suggests a possible route to increase the ZT values of AGNR-N for potential thermoelectric applications.

Graphical abstract: First-principles study of the thermoelectric properties of strained graphene nanoribbons

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Article information


Submitted
07 Jun 2013
Accepted
16 Jul 2013
First published
30 Jul 2013

J. Mater. Chem. A, 2013,1, 10762-10767
Article type
Paper

First-principles study of the thermoelectric properties of strained graphene nanoribbons

P. S. E. Yeo, M. B. Sullivan, K. P. Loh and C. K. Gan, J. Mater. Chem. A, 2013, 1, 10762
DOI: 10.1039/C3TA12211E

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