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

Yongqiang Xue, Mark A Ratner

Research output: Chapter in Book/Report/Conference proceedingConference contribution


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-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Number of pages6
Publication statusPublished - 2002
Event2002 MRS Fall Meeting - Boston, MA, United States
Duration: Dec 2 2002Dec 6 2002


Other2002 MRS Fall Meeting
CountryUnited States
CityBoston, MA


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

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