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 Concept Videos

Intermolecular Forces03:13

Intermolecular Forces

60.6K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
60.6K
Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

377
Interfacial electrochemical methods focus on the phenomena occurring at the boundary between an electrode and a solution, as opposed to bulk methods that concentrate on the solution's overall properties. These interfacial methods are classified as either static or dynamic based on the presence of a nonzero current in the electrochemical cell and the consistency of analyte concentrations. Static methods, such as potentiometry, measure the cell's potential without any significant current...
377
Intermolecular Forces in Solutions02:28

Intermolecular Forces in Solutions

34.5K
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
34.5K
Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

22.2K
22.2K

You might also read

Related Articles

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

Sort by
Same author

α,ω-Alkanedibromides Form Low Conductance Chemisorbed Junctions with Silver Electrodes.

Journal of the American Chemical Society·2024
Same author

Resolving molecular frontier orbitals in molecular junctions with kHz resolution.

Chemical science·2024
Same author

Graphene edge interference improves single-molecule transistors.

Nature nanotechnology·2024
Same author

Cooperative Self-Assembly of Dimer Junctions Driven by π Stacking Leads to Conductance Enhancement.

Nano letters·2023
Same author

Toward Density-Functional Theory-Based Structure-Conductance Relationships in Single Molecule Junctions.

The journal of physical chemistry letters·2022
Same author

Preservation of the donor-acceptor character of a carbazole-phenalenone dyad upon adsorption on Pt(111).

Nanoscale advances·2022

Related Experiment Video

Updated: Sep 3, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.5K

Development of Classical Force Fields for Interfaces between Single Molecules and Au.

Narendra P Arasu1,2, Héctor Vázquez1

  • 1Institute of Physics, Czech Academy of Sciences, Cukrovarnická 10, 162 00 Prague, Czech Republic.

The Journal of Physical Chemistry. A
|July 26, 2022
PubMed
Summary

We developed a new method to model metal-molecule interactions for better interface simulations. This approach enables longer, more detailed molecular dynamics simulations of electronic devices.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.9K
Investigating Single Molecule Adhesion by Atomic Force Spectroscopy
09:48

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

Published on: February 27, 2015

10.5K

Related Experiment Videos

Last Updated: Sep 3, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.5K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.9K
Investigating Single Molecule Adhesion by Atomic Force Spectroscopy
09:48

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

Published on: February 27, 2015

10.5K

Area of Science:

  • Surface Science
  • Materials Science
  • Computational Chemistry

Background:

  • Metal-organic interfaces are crucial for molecular electronics and photovoltaics.
  • Accurate modeling of these interfaces requires precise metal-molecule interaction parameters.
  • Long-timescale simulations are needed to understand interface geometry evolution.

Purpose of the Study:

  • To develop a method for calculating interface parameters from density functional theory (DFT) calculations.
  • To create a parameter set for metal-molecule-metal junctions.
  • To investigate the dynamics of organic molecules on metal surfaces.

Main Methods:

  • Parameterization of metal-molecule interactions using reference DFT calculations.
  • Development of a parameter set for metal-molecule-metal junctions.
  • Nanosecond classical molecular dynamics (MD) simulations of oligophenyls on Au(111).

Main Results:

  • A novel method for calculating interface parameters was successfully developed.
  • A parameter set for specific metal-molecule junctions was generated.
  • Classical MD simulations provided insights into molecular dynamics beyond the scope of ab initio MD.

Conclusions:

  • The developed method enables accurate parameterization for metal-organic interfaces.
  • Long-timescale MD simulations using these parameters offer new insights into interface dynamics.
  • This work advances the modeling capabilities for molecular surface science and electronic devices.