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.
N1 - Funding Information:
A.R. was supported by Contract No. NAS2-03144 to the University Affiliated Research Center (UARC)/UC Santa Cruz. Y.X. and M.A.R. were supported by the D arpa Molectronics program, the Do d-durint program, the NSF Nanotechnology Initiative, and the NASA Institute for Nanoelectronics and Computing.
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.
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U2 - 10.1016/j.cplett.2004.04.035
DO - 10.1016/j.cplett.2004.04.035
M3 - Article
AN - SCOPUS:2342466095
VL - 390
SP - 246
EP - 249
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -