• 文献标题:   First-principles study of the thermoelectric properties of strained graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   YEO PSE, SULLIVAN MB, LOH KP, GAN CK
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS CHEMISTRY A
  • ISSN:   2050-7488
  • 通讯作者地址:   Agcy Sci Technol Res
  • 被引频次:   12
  • DOI:   10.1039/c3ta12211e
  • 出版年:   2013

▎ 摘  要

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 angstrom), 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.