Please use this identifier to cite or link to this item: https://doi.org/10.1039/c3ta12211e
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dc.titleFirst-principles study of the thermoelectric properties of strained graphene nanoribbons
dc.contributor.authorYeo, P.S.E.
dc.contributor.authorSullivan, M.B.
dc.contributor.authorLoh, K.P.
dc.contributor.authorGan, C.K.
dc.date.accessioned2014-06-23T05:39:35Z
dc.date.available2014-06-23T05:39:35Z
dc.date.issued2013-09-28
dc.identifier.citationYeo, 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
dc.identifier.issn20507488
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/76181
dc.description.abstractWe 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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1039/c3ta12211e
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.description.doi10.1039/c3ta12211e
dc.description.sourcetitleJournal of Materials Chemistry A
dc.description.volume1
dc.description.issue36
dc.description.page10762-10767
dc.description.codenJMCAE
dc.identifier.isiut000323276200025
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