Graphene based single molecule nanojunction

R. Chowdhury, S. Adhikari, Paul Rees

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


We introduce the ab-initio framework for zigzag-edged graphene fragment based single-electron transistor (SET) operating in the Coulomb blockade regime. Graphene is modeled using the density-functional theory and the environment is described by a continuum model. The interaction between graphene and the SET environment is treated self-consistently through the Poisson equation. We calculate the charging energy as a function of an external gate potential, and from this we obtain the charge stability diagram. Specifically, the importance of including re-normalization of the charge states due to the polarization of the environment has been demonstrated.

Original languageEnglish (US)
Pages (from-to)855-858
Number of pages4
JournalPhysica B: Condensed Matter
Issue number5
StatePublished - Mar 1 2012


  • Ab-initio
  • Coulomb blockade
  • Graphene fragment
  • Single-electron transistor

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering


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