LiMoO2

LiMoO2 is a semiconducting lithium oxide compound that is considered a promising candidate for synthesis and study in advanced energy storage applications.

Crystal structure of LiMoO2
Ground-state structure · Materials Project
Overview

About LiMoO2

LiMoO2 is a semiconducting member of the lithium oxide family that occupies a position near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its electronic structure and composition make it an intriguing subject for researchers investigating alternative electrode materials.

As a material with significant structural diversity, LiMoO2 is studied for its potential role in electrochemical systems. Its ability to accommodate lithium ions within its lattice framework positions it as a focus for developing next-generation battery technologies.

At a glance

Key Properties

Cross-validated computational properties for LiMoO2, aggregated across 3 databases.

Band Gap

0.66–1.82 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

24
3 databases, 9 space groups
Uses

Applications

Where LiMoO2 is used.

Electrochemical energy storageBattery electrode research
Reference

Frequently Asked Questions

Common questions about LiMoO2, answered from cross-validated data.

What is LiMoO2?

LiMoO2 is a semiconducting lithium oxide compound that is considered a promising candidate for synthesis and study in advanced energy storage applications.

More questions
What is LiMoO2 used for?
LiMoO2 is used in electrochemical energy storage and battery electrode research.
What is the band gap of LiMoO2?
LiMoO2 has a DFT-computed band gap of 0.66–1.82 eV across 24 reported structures.
Is LiMoO2 a metal, semiconductor, or insulator?
With a band gap up to 1.82 eV it is a semiconductor.
Is LiMoO2 thermodynamically stable?
LiMoO2 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of LiMoO2 are known?
24 structures of LiMoO2 are reported across 3 databases, spanning 9 distinct space groups.
What elements does LiMoO2 contain?
LiMoO2 contains Li, Mo, and O (3 elements).
Where does the data for LiMoO2 come from?
LiMoO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Within the diverse class of lithium oxides, LiMoO2 distinguishes itself from widely commercialized cathode materials like LiCoO2 and LiMn2O4 by its unique transition metal chemistry. While LiCoO2 is a standard benchmark for stability and performance, LiMoO2 offers a different electronic profile that may provide distinct advantages in specific electrochemical environments or specialized energy storage configurations.

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Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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