Related Experiment Video
Updated: Nov 18, 2025
05:37
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
398
Interplay of Structure and Dynamics in Lithium/Ionic Liquid Electrolytes: Experiment and Molecular Simulation
Patrick Judeinstein1,2, Mehdi Zeghal2, Doru Constantin2
1Université Paris-Saclay, CEA, CNRS, LLB, 91191 Gif-sur-Yvette, France.
The Journal of Physical Chemistry. B
|February 4, 2021
Summary
Adding lithium tetrafluoroborate to ionic liquids creates ordered structures, hindering ion movement and reducing conductivity. This study reveals how lithium addition impacts ionic liquid electrolytes.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- Ionic liquids are promising for electrochemical devices.
- Their complex behavior arises from structure-dynamics interplay.
- Understanding this interplay is key for device optimization.
Purpose of the Study:
- Investigate structural and dynamical effects of lithium addition in ionic liquids.
- Probe the relationship between nanostructuration and ionic transport.
- Analyze the impact on electrochemical performance.
Main Methods:
- Joint experimental and molecular simulation approach.
- X-ray scattering, pulsed field gradient NMR, and complex impedance spectroscopy.
- Molecular dynamics simulations for structural and dynamical analysis.
Main Results:
- Lithium addition induces nanostructuration, evidenced by a scattering prepeak.
- Formation of ordered charge series and Li(BF4)4 aggregates observed.
- Decreased molecular mobility and ionic conductivity due to nanoscale ordering.
- Enhanced Li+ cation association with BF4- anions and longer ion pairing times.
Conclusions:
- Lithium addition significantly alters ionic liquid structure and dynamics.
- Nanoscale ordering and ion pairing impede Li+ transport.
- Findings provide insights into optimizing ionic liquid electrolytes for electrochemical applications.
More Related Videos
11:04Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
13.2K
11:25Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway
Published on: March 7, 2022
4.9K
Related Concept Videos
02:54Trends in Lattice Energy: Ion Size and Charge
25.9K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
25.9K
02:48Ionic Bonding and Electron Transfer
47.1K
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.
47.1K
02:54Molecular and Ionic Solids
19.2K
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...
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...
19.2K
03:45Formation of Complex Ions
24.9K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
24.9K
00:42Ionic Bonds
125.4K
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...
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...
125.4K
02:42Ionic Crystal Structures
16.2K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.2K