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 | Materials Research Society Symposium Proceedings |
| Pages | 13-18 |
| Number of pages | 6 |
| Volume | 761 |
| Publication status | Published - 2002 |
| Event | 2002 MRS Fall Meeting - Boston, MA, United States Duration: Dec 2 2002 → Dec 6 2002 |
Other
| Other | 2002 MRS Fall Meeting |
|---|---|
| Country | United States |
| City | Boston, MA |
| Period | 12/2/02 → 12/6/02 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
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 Materials Research Society Symposium Proceedings (Vol. 761, pp. 13-18)