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

You might also read

Related Articles

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

Sort by
Same author

A mechano-integrated gradient electrolyte for long-cycling solid-state lithium metal batteries.

Nature communications·2026
Same author

Atomic Origins of Ultrahigh-Voltage Failure in LiCoO<sub>2</sub> Cathodes.

Journal of the American Chemical Society·2026
Same author

Cation-Anion Redox Co-Modulation: Unlocking the Potential of All-Electrochem-Active Sulfur-Based Solid-State Batteries.

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

An Air-Stable and Electrode-Compatible Lithium Superionic Conductor.

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

Tuning the Thermodynamic Equilibrium of Electrolyte Solvation Structures via Formation Entropy for Wide-Temperature Lithium-Ion Batteries.

Journal of the American Chemical Society·2026
Same author

Resolving Ionic Liquid Electrolyte-Mediated Microscopic Electrified Interface for Stable Lithium Metal Anode.

Journal of the American Chemical Society·2026

Related Experiment Video

Updated: Oct 3, 2025

Multiscale Structures Aggregated by Imprinted Nanofibers for Functional Surfaces
06:14

Multiscale Structures Aggregated by Imprinted Nanofibers for Functional Surfaces

Published on: September 11, 2018

6.7K

Screening LiMn2O4 Surface Modification Schemes under Theoretical Guidance.

Xiaorui Sun1,2, Ruijuan Xiao1,2, Xiqian Yu1,2

  • 1Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.

ACS Applied Materials & Interfaces
|February 18, 2022
PubMed
Summary
This summary is machine-generated.

This study uses first-principles calculations to screen dopants for lithium manganese oxide (LiMn₂O₄) cathodes, identifying Nb, Ru, Mo, V, Tc, and Ti as promising for stabilizing the material and reducing manganese dissolution.

Keywords:
Mn dissolutionfirst-principles calculationslithium-ion batteriesoxygen stabilitysurface modification

More Related Videos

A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates
08:09

A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates

Published on: May 9, 2014

11.0K
Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
08:12

Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance

Published on: September 5, 2018

16.2K

Related Experiment Videos

Last Updated: Oct 3, 2025

Multiscale Structures Aggregated by Imprinted Nanofibers for Functional Surfaces
06:14

Multiscale Structures Aggregated by Imprinted Nanofibers for Functional Surfaces

Published on: September 11, 2018

6.7K
A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates
08:09

A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates

Published on: May 9, 2014

11.0K
Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
08:12

Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance

Published on: September 5, 2018

16.2K

Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • Manganese (Mn) dissolution is a primary failure mechanism in lithium manganese oxide (LiMn₂O₄) batteries.
  • Doping is a common strategy to enhance LiMn₂O₄ cathode performance, but lacks theoretical guidance for dopant selection.
  • Surface oxygen stability is linked to the stability of surface Mn atoms, crucial for preventing dissolution.

Purpose of the Study:

  • To systematically investigate the effects of various dopants on the surface oxygen stability of LiMn₂O₄ cathodes using theoretical calculations.
  • To identify effective dopants for enhancing the stability of LiMn₂O₄ cathodes and reducing Mn dissolution.
  • To provide theoretical guidance for the rational design of surface modifications for LiMn₂O₄ cathodes.

Main Methods:

  • First-principles calculations were employed to systematically screen 3d and 4d transition metals, along with Mg, Ca, Sr, Al, Ga, and In, for their impact on surface oxygen stability.
  • Computational screening identified six competitive dopants: Nb, Ru, Mo, V, Tc, and Ti.
  • Experimental synthesis of LiMn₂O₄ with Mg, Mo, and Nb surface doping was performed to validate computational findings.

Main Results:

  • Six dopants (Nb, Ru, Mo, V, Tc, Ti) were identified as effective in stabilizing surface oxygen.
  • For Mg, Cu, and Zn, Li-site doping proved more effective than Mn-site doping in stabilizing surface oxygen.
  • Experimental validation confirmed the importance of considering particle morphology alongside surface oxygen stability for controlling Mn dissolution.
  • Electrochemical performance is complex and not solely determined by Mn dissolution.
  • Novel binary chromogenic reagents were developed for rapid, low-cost Mn dissolution detection via UV-Vis spectroscopy.

Conclusions:

  • This work establishes a theoretical framework for screening dopants to improve LiMn₂O₄ cathode stability.
  • The findings highlight the interplay between dopant choice, doping site, surface oxygen stability, and particle morphology in mitigating Mn dissolution.
  • The study contributes to the rational design of advanced cathode materials for improved battery performance and longevity.