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Related Experiment Video

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Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

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Published on: June 8, 2018

Quantum-interference-controlled molecular electronics.

San-Huang Ke1, Weitao Yang, Harold U Baranger

  • 1Department of Chemistry, Duke University, Durham, North Carolina 27708-0354, USA. shke@duke.edu

Nano Letters
|September 23, 2008
PubMed
Summary
This summary is machine-generated.

Quantum interference in molecular electronics is controllable in large rings like [18]annulene, but masked in small rings like benzene due to pi-sigma hybridization. This finding enables quantum interference effect transistors.

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Area of Science:

  • Molecular electronics
  • Quantum transport phenomena
  • Ab initio electronic structure theory

Background:

  • Quantum interference in coherent transport through single molecular rings offers potential control over current in molecular electronics.
  • Understanding the factors influencing quantum interference is crucial for designing novel electronic devices.

Purpose of the Study:

  • To investigate the applicability of quantum interference in single molecular rings for controlling electrical current.
  • To determine the dependence of the quantum interference effect on molecular structure and lead interactions.

Main Methods:

  • Utilized a single-particle Green function method.
  • Performed ab initio electronic structure calculations to model molecular systems.

Main Results:

  • The quantum interference effect (QIE) is highly sensitive to the interplay between molecular pi-states and contact sigma-states.
  • In small molecular rings (e.g., benzene) with gold leads, strong pi-sigma hybridization masks the QIE due to sigma tunneling.
  • The QIE is preserved in larger molecular rings (e.g., [18]annulene).

Conclusions:

  • Large molecular rings, such as [18]annulene, can preserve the quantum interference effect, making them suitable for electronic applications.
  • The findings suggest the feasibility of realizing quantum interference effect transistors based on large molecular rings.