DOI: 10.1063/1.1597197. Current–voltage characteristics of single molecular junction: Dimensionality of metal contacts

Current–voltage characteristics of single molecular junction: Dimensionality of metal contacts

10.1063/1.1597197

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Formalisms for current–voltage (I–V) characteristics of a single molecular junction with electrodes possessing one-, two-, and three-dimensional energy distributions are derived and compared in the framework of elastic scattering theory. Model calculations on a device constituted of 1,4 benzene-dithiolate molecule chemically bonded to two gold electrodes are carried out using hybrid density functional theory. It is shown that the dimensionality of metal contacts has a strong effect on the I–V characteristics of the molecular junction, in particular the shape of the conductance curves. Good agreement with experimental I–V curves has been found for the case of the three-dimensional electron system.

Bibliography

Wang, C.-K., & Luo, Y. (2003). Currentâvoltage characteristics of single molecular junction: Dimensionality of metal contacts. The Journal of Chemical Physics, 119(9), 4923â4928.

Authors 2

Chuan-Kui Wang (first)
Yi Luo (additional)

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Dates

Type	When
Created	22 years ago (Aug. 14, 2003, 6:32 p.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 3:19 p.m.)
Indexed	1 year, 6 months ago (Feb. 7, 2024, 3:40 p.m.)
Issued	22 years ago (Sept. 1, 2003)
Published	22 years ago (Sept. 1, 2003)
Published Print	22 years ago (Sept. 1, 2003)

Funders 0

None

BibTeX

@article{Wang_2003, title={Current–voltage characteristics of single molecular junction: Dimensionality of metal contacts}, volume={119}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1597197}, DOI={10.1063/1.1597197}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Wang, Chuan-Kui and Luo, Yi}, year={2003}, month=sep, pages={4923–4928} }

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