• 文献标题:   Covalent coupling of DNA bases with graphene nanoribbon electrodes: Negative differential resistance, rectifying, and thermoelectric performance*
  • 文献类型:   Article
  • 作  者:   ZHANG PP, TAN SH, PENG XF, LONG MQ
  • 作者关键词:   dna base, graphene, electron transport, phonon transport, thermoelectric performance
  • 出版物名称:   CHINESE PHYSICS B
  • ISSN:   1674-1056 EI 1741-4199
  • 通讯作者地址:   Cent South Univ Forestry Technol
  • 被引频次:   0
  • DOI:   10.1088/1674-1056/aba9bf
  • 出版年:   2020

▎ 摘  要

By applying nonequilibrium Green's functions in combination with the density-functional theory, we investigate the electronic, thermal, and thermoelectric properties of four kinds of bases in DNA perpendicularly coupling between two ZGNR electrodes. The results show that the electron transport is highly sensitive to different base-ZGNR coupling geometries, and the system can present large rectifying and negative differential resistance effects. Moreover, the fluctuations of electronic transmission and super-low thermal conductance result in significant enhancement of the thermoelectric figure of merit (ZT): theZTwill be over 1.4 at room temperature, and over 1.6 at 200 K. The results show that the base-ZGNR coupling devices can present large rectifying, negative differential resistance, and enhanced thermoelectric effects.