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

Abstract

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
Pages13-18
Number of pages6
Volume761
Publication statusPublished - 2002
Event2002 MRS Fall Meeting - Boston, MA, United States
Duration: Dec 2 2002Dec 6 2002

Other

Other2002 MRS Fall Meeting
CountryUnited States
CityBoston, MA
Period12/2/0212/6/02

Fingerprint

Carbon Nanotubes
Carbon nanotubes
Molecules
Current voltage characteristics
Sulfhydryl Compounds
Green's function
Electronic properties
Transport properties
Electrostatics

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Microscopic study of electrical transport through single molecules with metallic contacts : Organic molecules and finite carbon nanotube. / Xue, Yongqiang; Ratner, Mark A.

Materials Research Society Symposium Proceedings. Vol. 761 2002. p. 13-18.

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

Xue, Y & Ratner, MA 2002, Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube. in Materials Research Society Symposium Proceedings. vol. 761, pp. 13-18, 2002 MRS Fall Meeting, Boston, MA, United States, 12/2/02.
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