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

Molecular and Ionic Solids02:54

Molecular and Ionic Solids

20.1K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
20.1K
Ionic Radii03:10

Ionic Radii

33.5K
Ionic radius is the measure used to describe the size of an ion. A cation always has fewer electrons and the same number of protons as the parent atom; it is smaller than the atom from which it is derived. For example, the covalent radius of an aluminum atom (1s22s22p63s23p1) is 118 pm, whereas the ionic radius of an Al3+ (1s22s22p6) is 68 pm. As electrons are removed from the outer valence shell, the remaining core electrons occupying smaller shells experience a greater effective nuclear...
33.5K
Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

55.1K
Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
55.1K
Ionic Bonds00:42

Ionic Bonds

130.8K
Overview
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
130.8K
Molecular Models02:00

Molecular Models

43.7K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
43.7K
Ionic Compounds: Formulas and Nomenclature03:34

Ionic Compounds: Formulas and Nomenclature

87.3K
An element composed of atoms that readily lose electrons (a metal) can react with an element composed of atoms that readily gain electrons (a nonmetal) to produce ions through complete electron transfer. The compound formed by this transfer is stabilized by the electrostatic attractions (ionic bonds) between the oppositely charged ions.
87.3K

You might also read

Related Articles

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

Sort by
Same author

Does Electrode Spacing Truly Control Capacitance and Energy Density in Graphene-Based Supercapacitors? A Molecular Simulation Perspective.

ACS omega·2026
Same author

Hydration and Molar Ratio Effects in Choline Chloride-Phenol Deep Eutectic Solvents.

The journal of physical chemistry. B·2026
Same author

How Hydrotropy Explains the Influence of Dissolved Gases on the Properties of Aqueous Salt Solutions.

The journal of physical chemistry. B·2026
Same author

Bio-Inspired Peptide Membranes for CO<sub>2</sub> Capture: A Molecular Dynamics Study of A<sub>6</sub>H and A<sub>6</sub>R Interfaces.

The journal of physical chemistry. B·2026
Same author

Temperature Effects on the Structural Stability of EF<sub>4</sub>K Peptide Membranes: Insights into Mono- and Multilayer Architectures.

ACS materials Au·2026
Same author

Peptide-Carbon Nanotube Hybrids under Confinement: Structure and Stability from Atomistic Simulations.

ACS omega·2026

Related Experiment Video

Updated: Feb 4, 2026

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

6.0K

Atomic-Scale Insights into Phosphorene-Ionic Liquid Interface with Ab Initio Molecular Dynamics.

Debora Ariana C da Silva1, Guilherme Colherinhas2, Eudes Eterno Fileti3

  • 1Institute of Science and Technology, Federal University of ABC, Santo Andre, São Paulo 09210-170, Brazil.

ACS Physical Chemistry Au
|February 2, 2026
PubMed
Summary
This summary is machine-generated.

Understanding atomic-scale interactions is key for high-performance energy storage. This study uses simulations to reveal how phosphorene electrodes and ionic liquids form electric double layers, crucial for supercapacitors and batteries.

Keywords:
ab initio molecular dynamicselectric double layerelectrode ionic liquid interfaceinterfacial charge redistributionphosphorene

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.1K
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

8.7K

Related Experiment Videos

Last Updated: Feb 4, 2026

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

6.0K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.1K
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

8.7K

Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • High-performance supercapacitors and batteries require understanding atomic-level electrode-electrolyte interactions.
  • Electric double-layer formation is critical for energy storage but poorly understood at the atomic scale.

Purpose of the Study:

  • To elucidate the atomic-scale mechanisms of electric double-layer formation at a phosphorene-ionic liquid interface.
  • To investigate charge redistribution and ionic ordering using ab initio molecular dynamics (AIMD).

Main Methods:

  • Ab initio molecular dynamics (AIMD) simulations.
  • Analysis of phosphorene structural flexibility and electrode-electrolyte interactions.
  • Examination of electron density, Hartree potential, and electric fields at the interface.

Main Results:

  • Quantified phosphorene's structural flexibility (P-P distances, angular fluctuations).
  • Characterized electrode-electrolyte interaction energy (-138.2 kJ mol⁻² nm⁻²) driving ionic layering.
  • Revealed interfacial charge accumulation/depletion zones (~2.5 nm) and strong local electric fields (10⁸ V/m).
  • Observed significant local polarization effects, not charge transfer, under zero bias.

Conclusions:

  • Ionic liquids play a critical role in modulating interfacial electrostatics through polarization.
  • Atomic-level insights into phosphorene-ionic liquid interfaces advance the design of next-generation energy storage devices.
  • The study highlights the importance of interfacial structure and polarization in electric double-layer formation.