Current-voltage curves for molecular junctions

Pyrene vs diphenylacetylene

Charles W. Bauschlicher, Alessandra Ricca, Yongqiang Xue, Mark A Ratner

Research output: Contribution to journalArticle

18 Citations (Scopus)

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 languageEnglish
Pages (from-to)246-249
Number of pages4
JournalChemical Physics Letters
Volume390
Issue number1-3
DOIs
Publication statusPublished - May 21 2004

Fingerprint

pyrenes
thiols
Electric potential
electric potential
curves
Benzene
benzene
rings
pyrene
biphenylacetylene
dithiol

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 journalArticle

Bauschlicher, Charles W. ; Ricca, Alessandra ; Xue, Yongqiang ; Ratner, Mark A. / Current-voltage curves for molecular junctions : Pyrene vs diphenylacetylene. In: Chemical Physics Letters. 2004 ; Vol. 390, No. 1-3. pp. 246-249.
@article{12c12adf229b4e04b757d25f0cb37687,
title = "Current-voltage curves for molecular junctions: Pyrene vs diphenylacetylene",
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.",
author = "Bauschlicher, {Charles W.} and Alessandra Ricca and Yongqiang Xue and Ratner, {Mark A}",
year = "2004",
month = "5",
day = "21",
doi = "10.1016/j.cplett.2004.04.035",
language = "English",
volume = "390",
pages = "246--249",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "1-3",

}

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 -