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

Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

39.3K
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
39.3K
Lumber Defects01:23

Lumber Defects

262
Lumber defects, which can affect both the appearance and structural integrity of wood, include a variety of growth and manufacturing flaws. Growth defects such as knots and knotholes occur where branches were once attached to the tree trunk, with knotholes forming when these knots fall out. Other natural defects include decay and insect damage, which compromise the wood's strength and durability.
Shakes are minor fractures that run along or across the wood's annual rings, while wane is...
262
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

18.6K
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...
18.6K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

28.5K
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...
28.5K

You might also read

Related Articles

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

Sort by
Same author

Preparation, Thermal Regulation, and Energy Storage Properties of n-hexadecane@polymethyl Methacrylate Microcapsule-Cement Composite Phase Change Materials.

Polymers·2026
Same author

Imaging Multistep s‑Triazine Oligomerization via Cobalt-Assisted Deamination and Selective C-C Coupling.

Precision chemistry·2026
Same author

A Fluoroether Co-Solvent Engineering Interfacial and Solvation Dynamics for Durable Lithium-Oxygen Batteries.

Angewandte Chemie (International ed. in English)·2026
Same author

Interface-Engineered SnO<sub>2</sub>-PdO-Pd<sub>2</sub>Sn Composite: Toward High-Sensitivity Hydrogen Detection with Ultralow Detection Limit at Low Temperatures.

Small (Weinheim an der Bergstrasse, Germany)·2026
Same author

Bi-Functional Extension on Heterogeneous ORR/OER Catalysis with 2D Materials for Li-O<sub>2</sub> Batteries.

Nano-micro letters·2026
Same author

Nanomechanical insights into bacterial adhesion on biomaterials using AFM-based force spectroscopy.

Acta biomaterialia·2026

Related Experiment Video

Updated: Oct 21, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.8K

Intrinsic Defects in LiMn2O4: First-Principles Calculations.

Xu Li1, Jianchuan Wang1, Shiwei Zhang1

  • 1State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China.

ACS Omega
|September 2, 2021
PubMed
Summary

This study investigates intrinsic point defects in spinel lithium manganese oxide (LiMn2O4) using first-principles calculations. Understanding these defects is crucial for optimizing LiMn2O4

More Related Videos

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.0K
Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

6.5K

Related Experiment Videos

Last Updated: Oct 21, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.8K
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.0K
Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

6.5K

Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Computational Materials Science

Background:

  • Spinel lithium manganese oxide (LiMn2O4) is a promising cathode material for lithium-ion batteries due to its high voltage, capacity, eco-friendliness, and low cost.
  • Intrinsic point defects arising from synthesis variations significantly impact LiMn2O4 performance.
  • A comprehensive understanding of these defects is essential for material optimization.

Purpose of the Study:

  • To investigate the formation energies, local structures, and charge compensation mechanisms of intrinsic point defects in LiMn2O4.
  • To analyze the impact of point defects on lithium ion diffusion.
  • To provide theoretical insights into defect behavior in LiMn2O4 for improved battery performance.

Main Methods:

  • First-principles calculations utilizing a reasonable magnetic configuration.
  • Analysis of defect formation energies under oxygen-rich equilibrium conditions.
  • Calculation of defect binding energies and discussion of lithium ion diffusion barriers around defects.

Main Results:

  • Identified common intrinsic point defects including oxygen, lithium, and manganese vacancies, manganese and lithium antisites, and lithium interstitials under specific conditions.
  • Manganese interstitial formation was found to be energetically unfavorable.
  • Charge compensation primarily occurs via manganese oxidation state adjustments, except for defects at the 8a Wyckoff site.
  • Cation antisites reduce lithium diffusion barriers, while oxygen vacancies increase them.

Conclusions:

  • The study elucidates the types and behaviors of intrinsic point defects in LiMn2O4.
  • Defect clustering and their influence on lithium ion mobility are quantitatively assessed.
  • Provides crucial theoretical support for understanding and mitigating defect-related issues in LiMn2O4 cathode materials.