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

Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

448
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...
448
Intermolecular Forces03:13

Intermolecular Forces

61.3K
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...
61.3K
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

781
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
781
Intermolecular Forces in Solutions02:28

Intermolecular Forces in Solutions

34.8K
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,...
34.8K
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model01:09

Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model

449
Various dissolution theories provide insight into the factors that influence the dissolution rate. Danckwerts' Model suggests that turbulence, rather than a stagnant layer, characterizes the dissolution medium at the solid-liquid interface. In this model, the agitated solvent contains macroscopic packets that move to the interface via eddy currents, facilitating the absorption and delivery of the drug to the bulk solution. The regular replenishment of solvent packets maintains the...
449
Aqueous Solutions and Heats of Hydration02:42

Aqueous Solutions and Heats of Hydration

15.1K
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
15.1K

You might also read

Related Articles

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

Sort by
Same author

The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional Theory.

The journal of physical chemistry. B·2026
Same author

Coupled concentration-charge dynamics in 1:1 electrolytes with unequal diffusion coefficients: Local transient response and fluctuations.

The Journal of chemical physics·2026
Same author

Classical Density Functional Theory of Lennard-Jones Fluids: The Weighted-Density Approximation Revisited.

The journal of physical chemistry. B·2026
Same author

A molecular density functional theory of aqueous electrolytic solution.

The Journal of chemical physics·2026
Same author

Brownian dynamics simulations of electric double-layer capacitors with tunable metallicity.

The Journal of chemical physics·2026
Same author

A variational formulation of the free energy of mixed quantum-classical systems: Coupling classical and electronic density functional theories.

The Journal of chemical physics·2026

Related Experiment Video

Updated: Sep 17, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K

Ions at electrochemical interfaces: From explicit to implicit molecular solvent descriptions.

Swetha Nair1, Guillaume Jeanmairet1,2, Benjamin Rotenberg1,2

  • 1Sorbonne Université, CNRS, Physicochimie des Électrolytes et Nanosystèmes Interfaciaux, F-75005 Paris, France.

The Journal of Chemical Physics
|July 3, 2025
PubMed
Summary

Electronic screening in metals and polar solvents affects ion-induced charge. The Thomas-Fermi screening length impacts metal charge distribution but not interfacial solvent structure, with molecular density functional theory (MDFT) proving efficient.

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

13.0K
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

Related Experiment Videos

Last Updated: Sep 17, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K
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

13.0K
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

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding interfacial phenomena is crucial for electrochemical systems.
  • Electronic screening in metals and solvent screening are key factors at interfaces.
  • Accurate modeling of these interactions is computationally challenging.

Purpose of the Study:

  • To investigate the combined effects of electronic and solvent screening on ion-induced charge.
  • To analyze the influence of screening on interfacial solvent structure.
  • To evaluate molecular density functional theory (MDFT) against molecular dynamics (MD) for modeling these systems.

Main Methods:

  • Atomistically resolved electrodes using the Thomas-Fermi model for metal screening.
  • Classical molecular dynamics (MD) for explicit solvent description.
  • Molecular density functional theory (MDFT) for implicit solvent description.
  • Varying Thomas-Fermi screening length (lTF), ion charge (Na+, Cl-), and solvent type (water, acetonitrile).

Main Results:

  • The Thomas-Fermi screening length (lTF) significantly alters charge distribution within the metal.
  • lTF shows no significant impact on the interfacial solvent structure.
  • The metal's response to the external charge distribution, including the solvent, is the primary driver of internal charge changes.
  • MDFT accurately captures interfacial solvent structure details with lower computational cost than MD.

Conclusions:

  • The interplay between metal and solvent screening has distinct effects on metal charge distribution and interfacial structure.
  • MDFT is a computationally efficient and accurate method for modeling molecular-level details in electrochemical interfaces.
  • This work provides insights into the fundamental mechanisms governing charge distribution and solvation at electrified interfaces.