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 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
Cite this
Current-voltage curves for molecular junctions : Pyrene vs diphenylacetylene. / Bauschlicher, Charles W.; Ricca, Alessandra; Xue, Yongqiang; Ratner, Mark A.
In: Chemical Physics Letters, Vol. 390, No. 1-3, 21.05.2004, p. 246-249.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Current-voltage curves for molecular junctions
T2 - Pyrene vs diphenylacetylene
AU - Bauschlicher, Charles W.
AU - Ricca, Alessandra
AU - Xue, Yongqiang
AU - Ratner, Mark A
PY - 2004/5/21
Y1 - 2004/5/21
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=2342466095&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2342466095&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2004.04.035
DO - 10.1016/j.cplett.2004.04.035
M3 - Article
VL - 390
SP - 246
EP - 249
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -