• 文献标题:   Conductance through glycine in a graphene nanogap
  • 文献类型:   Article
  • 作  者:   CHAUDHURI P, FROTA HO, MOTA C, GHOSH A
  • 作者关键词:   glycine, graphene nanogap, dft, molecular electronic, nanoelectronic, modeling simulation
  • 出版物名称:   JOURNAL OF NANOPARTICLE RESEARCH
  • ISSN:   1388-0764 EI 1572-896X
  • 通讯作者地址:   Univ Fed Amazonas
  • 被引频次:   0
  • DOI:   10.1007/s11051-018-4254-y
  • 出版年:   2018

▎ 摘  要

We report theoretical analysis of charge transport process through a single glycine molecule utilizing graphene nanogaps. Density functional theory and non-equilibrium Green's function method are employed to investigate the transport properties of glycine inside the gap. The projected density of states, transmittance, and the current-voltage characteristics are determined with changes in the molecular orientation inside the nanogap of c.a 0.8 nm. The current values demonstrate a high sensitivity on the orientation of the molecule. The conductance of the molecule is also dependent on the voltage.