Please use this identifier to cite or link to this item:
https://doi.org/10.1039/c3ta12211e
Title: | First-principles study of the thermoelectric properties of strained graphene nanoribbons |
Authors: | Yeo, P.S.E. Sullivan, M.B. Loh, K.P. Gan, C.K. |
Issue Date: | 28-Sep-2013 |
Source: | Yeo, P.S.E., Sullivan, M.B., Loh, K.P., Gan, C.K. (2013-09-28). First-principles study of the thermoelectric properties of strained graphene nanoribbons. Journal of Materials Chemistry A 1 (36) : 10762-10767. ScholarBank@NUS Repository. https://doi.org/10.1039/c3ta12211e |
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. © 2013 The Royal Society of Chemistry. |
Source Title: | Journal of Materials Chemistry A |
URI: | http://scholarbank.nus.edu.sg/handle/10635/76181 |
ISSN: | 20507488 |
DOI: | 10.1039/c3ta12211e |
Appears in Collections: | Staff Publications |
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