• 文献标题:   Edge-oxidation effects on the thermoelectric properties in graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   GAO RB, PENG XF, CHEN KQ
  • 作者关键词:  
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Cent South Univ Forestry Technol
  • 被引频次:   2
  • DOI:   10.1016/j.physe.2018.07.038
  • 出版年:   2018

▎ 摘  要

The thermal, electrical and thermoelectric properties in edge modified zigzag graphene nanoribbon are analyzed carefully by nonequilibrium Green's function formalism combined with first principles calculation. Epoxy (-O-) and hydroxyl groups (-OH) are considered for the ZGNR edge modification (ZGNR-O and ZGNROH). The results show that ZGNR-O and ZGNR-OH both can suppress obviously the phonon transport, leading to low phonon thermal conductance. While ZGNR-O and ZGNR-OH hardly suppress electron transport within the positive energy, which induces one conductance quantum plateau can be observed in ZGNR-O and ZGNR-OH. At the negative energies, ZGNR-O can suppress obviously the electron transport, which induces violent fluctuation of electronic transmissions, leading to high Seebeck coefficient and enhanced thermopower.