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

The Electrical Double Layer01:30

The Electrical Double Layer

In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...
The Debye–Hückel Theory of Electrolyte Solutions01:27

The Debye–Hückel Theory of Electrolyte Solutions

The Debye–Hückel theory, established by Peter Debye and Erich Hückel in 1923, is a fundamental concept in physical chemistry. It provides an understanding of the behavior of strong electrolytes in solution, particularly explaining their deviations from ideal behavior.The theory is based on Coulombic interactions (the attraction or repulsion between charged particles) between ions in solution. In an ionic solution, oppositely charged ions tend to attract each other. This means that cations...
Weak Acid Solutions04:02

Weak Acid Solutions

Few compounds act as strong acids. A far greater number of compounds behave as weak acids and only partially react with water, leaving a large majority of dissolved molecules in their original form and generating a relatively small amount of hydronium ions. Weak acids are commonly encountered in nature, being the substances partly responsible for the tangy taste of citrus fruits, the stinging sensation of insect bites, and the unpleasant smells associated with body odor. A familiar example of a...
Theory of Strong Electrolytes01:23

Theory of Strong Electrolytes

The interionic forces of the strong electrolytes depend on the solvent's dielectric constant, which is the ability of a solvent to store electrical energy, based on its polarizability. and the solution's concentration. In high-dielectric solvents and in dilute solutions, weak electrostatic forces keep ions apart. However, in low-dielectric solvents or concentrated solutions, stronger interionic forces may cause ions to pair up as ionic doublets despite being fully ionized. The theory of strong...
Electrogravimetric Analysis: Overview01:30

Electrogravimetric Analysis: Overview

Electrogravimetric analysis measures the weight of an analyte deposited electrolytically onto a suitable working electrode. This method involves applying a potential to a pre-weighed electrode submerged in a solution, which results in the desired substance being deposited through reduction at the cathode or oxidation at the anode. The electrode's weight is recorded after deposition, and the difference in weight gives the analyte's weight in the solution.
To test the completeness of the...
Standard Electrode Potentials03:02

Standard Electrode Potentials

On comparing the reactivity of silver and lead, it is observed that the two ionic species, Ag+ (aq) and Pb2+ (aq), show a difference in their redox reactivity towards copper: the silver ion undergoes spontaneous reduction, while the lead ion does not. This relative redox activity can be easily quantified in electrochemical cells by a property called cell potential. This property is commonly known as cell voltage in electrochemistry, and it is a measure of the energy which accompanies the charge...

You might also read

Related Articles

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

Sort by
Same author

Interfacial Polymerization of TEPA and HMDI: The Role of Water.

ACS catalysis·2026
Same author

Nanoconfined Grain Boundaries Increase the Conductivity of Polycrystalline Molecular Crystals.

ACS materials letters·2026
Same author

Selective cobalt and nickel separation by bioacid-mediated electrowinning.

Science advances·2026
Same author

Large-Area Supramolecular Crystalline Thin Films of Polyoxometalates with Controlled 1-nm Pores Enabling Ultra-Selective Molecular Transport.

Journal of the American Chemical Society·2026
Same author

Grain boundary tuning determines iodide and lithium-ion migration in a solid adiponitrile-LiI molecular crystal electrolyte.

Materials horizons·2025
Same author

Interatomic Interactions and Ion-Transport in a Polyoligomeric Silsesquioxane-Based Multi-Ionic Salt Electrolyte for Lithium-Ion Batteries.

Chemphyschem : a European journal of chemical physics and physical chemistry·2025

Related Experiment Video

Updated: Jul 17, 2026

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway
11:25

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway

Published on: March 7, 2022

Understanding Electrolyte Decomposition and Interphase Formation at Li Metal Anode in Glyme-Based Electrolytes via

Vinay Thakur1, Prabhat Prakash1,2, Raghavan Ranganathan1

  • 1Department of Materials Engineering, Indian Institute of Technology Gandhinagar, Gujarat, India.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|July 15, 2026
PubMed
Summary

The solid electrolyte interphase (SEI) on lithium metal anodes is crucial for battery performance. This study used DFT-MD to reveal TFSI anion decomposition, forming LiF as the primary SEI component, guiding future electrolyte design.

Keywords:
DFT‐MDLiTFSI electrolyteelectrolyte decomposition analysissolid electrolyte interphase

More Related Videos

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
05:33

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

Published on: August 12, 2013

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
11:04

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature

Published on: December 20, 2016

Related Experiment Videos

Last Updated: Jul 17, 2026

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway
11:25

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway

Published on: March 7, 2022

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
05:33

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

Published on: August 12, 2013

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
11:04

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature

Published on: December 20, 2016

Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • The stability of the solid electrolyte interphase (SEI) on lithium metal anodes is critical for rechargeable battery performance and safety.
  • Understanding electrolyte decomposition pathways is key to designing robust lithium-metal batteries.

Purpose of the Study:

  • To investigate the interfacial decomposition pathways of LiTFSI-tetraglyme electrolyte on Li(100) using DFT-MD.
  • To provide an atomic-level understanding of SEI formation mechanisms.

Main Methods:

  • Density functional theory-based molecular dynamics (DFT-MD) simulations.
  • Simulations performed on Li(100) surface with equimolar LiTFSI-tetraglyme electrolyte at 350 and 500 K.
  • Analysis included Bader charge analysis and projected density of states (PDOS).

Main Results:

  • Rapid decomposition of the TFSI anion at the interface, while tetraglyme molecules remained intact.
  • Anode stripping driven by charge transfer from Li metal to TFSI fragments, causing electrolyte degradation.
  • LiF identified as the dominant SEI component; no Li2CO3 formation observed.

Conclusions:

  • Long-timescale DFT-MD simulations reveal crucial SEI initiation pathways.
  • Findings provide atomic-level insights into SEI component origins (LixF, LixO, LixS).
  • Results will aid in designing more stable electrolytes for lithium-metal batteries.