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 language | English |
|---|---|
| Title of host publication | Molecular Electronics |
| Pages | 13-18 |
| Number of pages | 6 |
| Publication status | Published - Dec 1 2002 |
| Event | 2002 MRS Fall Meeting - Boston, MA, United States Duration: Dec 2 2002 → Dec 6 2002 |
Publication series
| Name | Materials Research Society Symposium Proceedings |
|---|---|
| Volume | 761 |
| ISSN (Print) | 0272-9172 |
Other
| Other | 2002 MRS Fall Meeting |
|---|---|
| Country | United States |
| City | Boston, MA |
| Period | 12/2/02 → 12/6/02 |
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
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Cite this
Xue, Y., & Ratner, M. A. (2002). Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube. In Molecular Electronics (pp. 13-18). (Materials Research Society Symposium Proceedings; Vol. 761).