Abstract
The I-V curves are computed for 2,7-dithiolpyrene and 4,4 ′-dithiol-diphenylacetylene between two Au(111) surfaces. For a given bias, up to about 2.5 eV, the current for 2,7-dithiolpyrene is about half that for 4,4′-dithiol-diphenylacetylene. However, the fused benzene rings in 2,7-dithiolpyrene eliminate the loss of current associated with rotation about the central C2 that can occur for 4,4 ′-dithiol-diphenylacetylene.
| Original language | English |
|---|---|
| Pages (from-to) | 246-249 |
| Number of pages | 4 |
| Journal | Chemical Physics Letters |
| Volume | 390 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - May 21 2004 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Bauschlicher, C. W., Ricca, A., Xue, Y., & Ratner, M. A. (2004). Current-voltage curves for molecular junctions: Pyrene vs diphenylacetylene. Chemical Physics Letters, 390(1-3), 246-249. https://doi.org/10.1016/j.cplett.2004.04.035