Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube

Yongqiang Xue, Mark A. Ratner

Research output: Contribution to journalConference article

3 Citations (Scopus)


We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-bascd organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

Original languageEnglish
Pages (from-to)149-154
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Publication statusPublished - Jun 30 2003
EventPolymer/Metal Interfaces and Defect Mediated Phenomena in Ordered Polymers - Boston, MA, United States
Duration: Dec 2 2002Dec 6 2002


ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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