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

Published online by Cambridge University Press:  11 February 2011

Yongqiang Xue
Affiliation:
Department of Chemistry and Materials Research Center, Northwestern University, Evanston, Illinois 60208
Mark A. Ratner
Affiliation:
Department of Chemistry and Materials Research Center, Northwestern University, Evanston, Illinois 60208
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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.

Type
Research Article
Copyright
Copyright © Materials Research Society 2003

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References

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