Is Molecular Rectification Caused by Asymmetric Electrode Couplings or by a Molecular Bias Drop?

Journal Article · Tue Feb 24 00:00:00 EST 2015 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/jp5093515· OSTI ID:1265411

Zhang, Gaibo ^[1]; Ratner, Mark A. ^[2]; Reuter, Matthew G. ^[3]

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1. Oak Ridge High School, Oak Ridge, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2. Northwestern Univ., Evanston, IL (United States)
3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In this study, we investigate possible causes of molecular rectification in electrode-molecule-electrode junctions. By using a simple model and simulated conductance histograms, we show that a molecular bias drop is responsible for rectification; conversely, asymmetric molecule electrode couplings do not directly result in rectification. Instead, the degree of coupling (a)symmetry can be observed in the line shapes of the conductance histograms used to experimentally assess the current voltage properties of such molecular junctions. Finally, more coupling asymmetry leads to less positively skewed histogram peaks.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1265411
• Journal Information: Journal of Physical Chemistry. C, Vol. 119, Issue 11; ISSN 1932-7447
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY