Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Hybridization of Atomic Orbitals I

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...

Hybridization of Atomic Orbitals II

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization

Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

Molecular Orbital Theory II

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams

Valence Bond Theory and Hybridized Orbitals

Valence Bond Theory and Hybridized Orbitals

According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...

Ionic Bonding and Electron Transfer

Ionic Bonding and Electron Transfer

Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.

You might also read

Related Articles

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

Sort by

Same author

Energy landscapes and tunable electronic properties of polar and non-polar SiC nanofilms.

Journal of physics. Condensed matter : an Institute of Physics journal·2026

Same author

Dynamic heterogeneity and hidden fluidity in dense epithelial tissues.

Science advances·2026

Same author

Structural Origin of Morphotropic Phase Boundary in Advanced Perovskite Ferroelectric Oxides.

Journal of the American Chemical Society·2026

Same author

Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps.

Journal of chemical theory and computation·2026

Same author

Friction-controlled reentrant aging and fluidization in granular materials.

Proceedings of the National Academy of Sciences of the United States of America·2026

Same author

Disorder and damage recovery in irradiated lithium oxide.

Physical chemistry chemical physics : PCCP·2026

Same journal

Inverse FIP effect plasma in the solar atmosphere: a synthesis of current understanding and new insights from AR 11967.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same journal

Signs of sulfur fractionation under high magnetic field strength.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same journal

First ionization potential fractionation of sulfur observed with spectral imaging of the coronal environment.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same journal

Chromospheric dynamics and turbulence regulate the solar FIP effect.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same journal

Exploring the link between wave activity in the photospheric velocity driver and the FIP bias in the solar corona.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same journal

Radiative hydrodynamic simulations of first ionization potential fractionation in solar flares.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

See all related articles

Search research articles

Related Experiment Video

Updated: Oct 17, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

Cooperative excitations in superionic PbF₂.

Chris E Mohn¹, Marcin Krynski², Walter Kob³

¹Centre for Earth Evolution and Dynamics, University of Oslo, N-0315 Oslo, Norway.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences

|October 11, 2021

Summary

This summary is machine-generated.

Dynamical Frenkel defects drive collective fluoride diffusion in β-PbF2. Molecular dynamics reveal

Keywords:

DFT collective diffusion molecular dynamics superionc conductivity β-PbF2

More Related Videos

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Published on: December 29, 2016

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

Published on: August 17, 2017

Related Experiment Videos

Last Updated: Oct 17, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Published on: December 29, 2016

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

Published on: August 17, 2017

Area of Science:

Solid-state chemistry and materials science.
Computational condensed matter physics.

Background:

Understanding ion transport mechanisms in solid electrolytes is crucial for energy applications.
β-PbF2 exhibits fast fluoride ion conduction, but the exact diffusion mechanism remains debated.

Purpose of the Study:

To investigate the link between dynamical Frenkel defects and collective fluoride diffusion in β-PbF2.
To elucidate the atomic-scale mechanisms governing fast ion transport.

Main Methods:

Born-Oppenheimer molecular dynamics simulations.
Comparison of calculated transport coefficients with experimental data (conductivity, pulsed field gradient NMR).

Main Results:

Simulations accurately reproduce experimental self-diffusion and ionic conductivity.
Evidence for highly collective fluoride diffusion, challenging previous interpretations of the Haven ratio.
Identification of a 'kick-out' mechanism involving Frenkel defects and collinear chains.

Conclusions:

Dynamical Frenkel defects are key to the collective diffusion of fluorides in β-PbF2.
The observed diffusion is a highly cooperative process involving multiple ions and lead ion relaxations.
The findings provide a detailed atomic-level understanding of fast-ion conduction in this material.