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May 18, 2026The Journal of Physical Chemistry C1 citations

Junction Scale Governs Rectification Magnitude and Probability in Molecular Diodes

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HKHungu Kang

Key Points

  • The research aims to understand how junction scale impacts the rectification capabilities of molecular diodes.
  • Mapped rectification across single-molecule, small-area, and large-area junction scales.
  • Analyzed performance using a single family of molecular diodes, SCnBIPY.
  • Quantified the fraction of junctions showing significant rectification.
  • Long-chain SC11BIPY displayed substantial rectification (|r| ≈ 102) in large-area junctions.
  • Shorter molecular analogues showed minimal rectification at ensemble scales but recovered notable performance in single-molecule tests (|r| ≈ 50–70).
  • Junction scale significantly influenced both the magnitude and reliability of rectification, indicated by an estimated probability of working junctions.

Abstract

Determining the extent to which molecular tunneling performance is an intrinsic property of a molecule versus a consequence of junction architecture remains a central challenge in molecular electronics. In this study, the two-dimensional junction scale is treated as a statistical variable, and rectification is mapped across three junction regimes that differ by orders of magnitude in the number of molecules sampled, namely single-molecule, small-area, and large-area junctions. Using a single family of molecular diodes, SCnBIPY (n = 11, 5, 1), it is revealed that apparent function depends strongly on scale. Specifically, long-chain SC11BIPY rectifies robustly in monolayer-based large-area junctions (|r| ≈ 102), whereas shorter analogues show little or no significant rectification at ensemble scales, despite recovering pronounced rectification in the single-molecule limit (|r| ≈ 50–70). Importantly, junction scale modulates not only rectification magnitude but also its reliability, as quantified by fr, the fraction (estimated probability) of working junctions that exhibit significant rectification (|r| ≥ 10). These findings show that lateral scaling can act as a statistical filter that amplifies or suppresses disorder-sensitive functionality, providing a unified framework to reconcile cross-platform discrepancies in molecular diode behavior, and highlighting junction dimensionality as a design parameter for robust molecular-scale device functions.

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Cite This Study

Hungu Kang (2026) studied this question.

synapsesocial.com/papers/6a0aabc25ba8ef6d83b6f81dhttps://doi.org/10.1021/acs.jpcc.6c01207
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