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

Inelastic transport through molecules: comparing first-principles calculations to experiments.

Magnus Paulsson1, Thomas Frederiksen, Mads Brandbyge

  • 1MIC-Department of Micro and Nanotechnology, NanoDTU, Technical University of Denmark, Ørsteds Plads, Building 345E, DK-2800 Lyngby, Denmark.

Nano Letters
|February 9, 2006
PubMed
Summary

We calculated conductance in hydrocarbon molecules, matching experimental data. Our findings identify key vibrational modes and electron scattering mechanisms in molecular junctions.

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

Bacterial Contamination of Autologous Cranial Bone Flaps: Microbiological Analysis and In Vitro Antibiotic Decontamination.

World neurosurgery·2026
Same author

Increased levels of α2-3- and α2-6-linked sialic acids during airway inflammation govern influenza A binding to peripheral airway mucins in a subtype-dependent manner.

Frontiers in immunology·2026
Same author

An unusual case of <i>Streptococcus pyogenes</i> infective endocarditis demonstrating the usefulness of repeated echocardiography.

IDCases·2026
Same author

ClusterVAP: study protocol for multicentre proteomic endotyping of ventilator-associated pneumonia.

BMJ open respiratory research·2026
Same author

Evaluation of a Particle Enhanced Turbidimetric Immunoassay (PETIA) for detecting calprotectin in sputum samples.

BMC pulmonary medicine·2026
Same author

Quantum Transport in Nitrogen-Doped Nanoporous Graphenes.

Small (Weinheim an der Bergstrasse, Germany)·2025

Area of Science:

  • * Condensed matter physics
  • * Molecular electronics
  • * Quantum transport

Background:

  • * Understanding electron transport through molecular junctions is crucial for nanoelectronic device development.
  • * Experimental studies have probed vibrational effects in molecular junctions, but theoretical insights into specific mechanisms are needed.

Purpose of the Study:

  • * To computationally investigate elastic and inelastic electron conductance in hydrocarbon molecular junctions.
  • * To identify specific vibrational modes responsible for inelastic electron scattering.
  • * To elucidate the mechanisms of vibrational mode heating and cooling due to charge carrier coupling.

Main Methods:

  • * Combined nonequilibrium Green's function (NEGF) method with density functional theory (DFT).

Related Experiment Videos

  • * Calculated conductance for three distinct hydrocarbon molecules bridging gold electrodes.
  • * Analyzed vibrational effects and electron-vibration interactions within the molecular junctions.

    • Main Results:

    • * Calculated conductance values show good agreement with existing experimental measurements.
    • * Identified specific vibrational modes contributing to inelastic electron tunneling signals.
    • * Quantified the width of inelastic tunneling peaks and analyzed charge carrier-induced heating/cooling effects.

    Conclusions:

    • * The theoretical approach accurately reproduces experimental observations of conductance in molecular junctions.
    • * Provides detailed insights into the role of molecular vibrations in electron transport.
    • * Advances the understanding of electron-vibration coupling, essential for designing molecular electronic components.