Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Do Aviram-Ratner diodes rectify?

Kurt Stokbro1, Jeremy Taylor, Mads Brandbyge

  • 1Mikroelektronik Centret (MIC), Technical University of Denmark, Building 345E, DK-2800 Lyngby, Denmark. ks@mic.dtu.dk

Journal of the American Chemical Society
|March 27, 2003
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Practice Makes Perfect: Using Soft-Embalmed Cadavers as a Teaching Model for Hip Reduction.

JB & JS open access·2025
Same author

Noncardiac Normothermic Regional Perfusion in Circulatory Death Donors may Improve Kidney Utilization and Prevent Delayed Graft Function.

The Journal of surgical research·2025
Same author

Quantum Transport in Nitrogen-Doped Nanoporous Graphenes.

Small (Weinheim an der Bergstrasse, Germany)·2025
Same author

Australian Paramedic Students' Reports of Clinical Placement Experiences: A Snapshot From two Cohorts.

The clinical teacher·2025
Same author

Association of Socioeconomic Disadvantage and Deceased Donor Kidney Transplant Graft Function.

The Journal of surgical research·2025
Same author

Hypoglycemia Secondary to Intentional Insulin Poisoning Managed With Intravenous Hydrocortisone.

JCEM case reports·2025
Same journal

Linker Engineering toward NIR-II Metal-Organic Framework with Maximal Emission beyond 1000 nm for Inflammatory Bowel Disease Imaging.

Journal of the American Chemical Society·2026
Same journal

Observing Kinetic Selectivity in Anthracene Photodimerization through Selective Quenching by Excited States of Proximate Rare Earth Cations.

Journal of the American Chemical Society·2026
Same journal

Sequence-Dependent Folding of Recognition-Encoded Melamine Oligomers.

Journal of the American Chemical Society·2026
Same journal

Large Thermo- and Mechanosalient Actuation via Cooperative Twist Elasticity-Induced Packing Motif Conversion.

Journal of the American Chemical Society·2026
Same journal

Discovery and Biosynthesis of Lanthipeptides Featuring an Azepinoindole Scaffold by Radical <i>S</i>-Adenosylmethionine Enzyme-Catalyzed C-C Bond Formation.

Journal of the American Chemical Society·2026
Same journal

Enantiopurity-Controlled Magnetism in a Two-Dimensional Organic-Inorganic Material.

Journal of the American Chemical Society·2026
See all related articles

State-of-the-art calculations reveal poor diode performance in donor-insulator-acceptor molecular devices. Molecular orbital alignment at specific voltages is key to improving rectification for future molecular electronics.

Area of Science:

  • Molecular electronics
  • Quantum chemistry
  • Materials science

Background:

  • Donor-insulator-acceptor (DsigmaA) molecular diodes are crucial components in molecular electronics.
  • Understanding their current-voltage (IV) characteristics is essential for device optimization.

Purpose of the Study:

  • To perform first-principles calculations of the IV characteristics for a DsigmaA molecular diode.
  • To analyze the origin of poor diode behavior and identify parameters for improved rectification.

Main Methods:

  • State-of-the-art first-principles calculations.
  • Analysis of bias-dependent electronic structure, including Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO).
  • Investigation of molecular diodes anchored with thiolate bonds to gold electrodes.

Related Experiment Videos

Main Results:

  • The investigated DsigmaA molecular diode exhibits very poor rectification characteristics.
  • At zero bias, HOMO is confined to the donor part and LUMO to the acceptor part.
  • At 3.8 V, HOMO and LUMO align, leading to increased current, indicating a potential rectification mechanism.

Conclusions:

  • The poor rectification is attributed to the specific electronic structure and orbital confinement in the DsigmaA molecule.
  • Alignment of HOMO and LUMO at a specific bias is a potential mechanism for rectification.
  • Key parameters for successful chemical engineering of DsigmaA rectifiers are identified, guiding future molecular design.