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

Continuous Charge Distributions01:17

Continuous Charge Distributions

7.8K
Imagine a bucket of water. It contains many molecules, of the order of 1026 molecules. Thus, although it contains discrete elements (molecules) at the microscopic level, macroscopically, it can be considered continuous. Small volume elements of water, infinitesimal compared to the bulk of the bucket's volume, still contain many molecules. Under this framework, quantized matter is approximated as continuous for practical purposes.
The electric charge can also be subjected to an analogical...
7.8K
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

2.1K
When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
2.1K
Calculations of Electric Potential II01:27

Calculations of Electric Potential II

2.2K
An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...
2.2K
Thermodynamic Potentials01:26

Thermodynamic Potentials

1.5K
Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
1.5K
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

1.8K
When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
1.8K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

30.2K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.2K

You might also read

Related Articles

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

Sort by
Same author

Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

The Journal of chemical physics·2026
Same author

MgCl<sub>2</sub>-Mediated Mechanisms of Oxygen Solubility in Molten Chlorides.

Inorganic chemistry·2026
Same author

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same author

Insights into Cationic Vacancies in a Prussian Blue Analogues Cathode for Enhanced Reversible Sodium Insertion.

JACS Au·2026
Same author

Atomic Evolution of Hydrogen Intercalation Wave Dynamics in Palladium Nanocrystals Revealed by Liquid-Phase Transmission Electron Microscopy.

Journal of the American Chemical Society·2026
Same author

Visualizing Millisecond Atomic Dynamics of Nanocrystals in Liquid.

Journal of the American Chemical Society·2026

Related Experiment Video

Updated: Dec 31, 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

5.9K

Charge fluctuations from molecular simulations in the constant-potential ensemble.

Laura Scalfi1, David T Limmer2, Alessandro Coretti3

  • 1Sorbonne Université, CNRS, Physicochimie des Électrolytes et Nanosystèmes Interfaciaux, F-75005 Paris, France. benjamin.rotenberg@sorbonne-universite.fr.

Physical Chemistry Chemical Physics : PCCP
|January 8, 2020
PubMed
Summary

This study clarifies charge fluctuations in capacitors, revealing a new contribution to differential capacitance from electrode charge dynamics. This effect is generally smaller than electrolyte-induced fluctuations.

More Related Videos

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

541
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K

Related Experiment Videos

Last Updated: Dec 31, 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

5.9K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

541
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K

Area of Science:

  • Physical Chemistry
  • Computational Electrochemistry
  • Statistical Mechanics

Background:

  • Capacitor charge fluctuations are crucial for understanding electrochemical energy storage.
  • Constant-potential molecular simulations treat electrode atomic charges as dynamic variables.
  • Electroneutrality and fixed potential constraints are key in these simulations.

Purpose of the Study:

  • To derive a complete fluctuation-dissipation relation for differential capacitance.
  • To elucidate the role of electroneutrality and Born-Oppenheimer averages.
  • To quantify the contribution of electrode charge fluctuations to capacitance.

Main Methods:

  • Classical molecular simulations under constant-potential conditions.
  • Analysis of statistical mechanics for charge fluctuations.
  • Derivation of fluctuation-dissipation relations.

Main Results:

  • A complete fluctuation-dissipation relation for differential capacitance is derived.
  • A novel contribution from electrode charge fluctuations is identified.
  • This contribution is shown to be small compared to electrolyte effects for typical liquids.

Conclusions:

  • Electrode charge fluctuations contribute to differential capacitance even without an electrolyte.
  • The derived relation provides a more comprehensive understanding of capacitor behavior.
  • Numerical validation confirms theoretical predictions for various electrode-electrolyte systems.