Journal
ACS NANO
Volume 9, Issue 7, Pages 7704-7713Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.5b03183
Keywords
molecular electronics; conductance histograms; break junctions; tunneling
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Funding
- U.S. Air Force Office of Scientific Research Multidisciplinary University Research Initiative [FA9550-14-1-003]
- Institute for Advanced Computational Science
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We develop theoretical and computational tools for extracting quantitative molecular information from experimental conductance histograms for electron transport through single-molecule break junctions. These experimental setups always measure a combination of molecular conductance and direct electrode-electrode tunneling; our derivations explicitly incorporate the effects of such background tunneling. Validation of our models to simulated data shows that background tunneling is crucial for quantitative analyses (even in cases where it appears to be qualitatively negligible), and comparison to experimental data is favorable. Finally, we generalize these ideas to the case of molecules with a destructive interference feature and discuss potential signatures for interference in a conductance histogram.
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