LiFe3O4

LiFe3O4 is a metastable, semiconducting oxide material currently being researched for its potential as an oxygen-evolution catalyst.

Crystal structure of LiFe3O4
Ground-state structure · Materials Project
Overview

About LiFe3O4

LiFe3O4 is a metastable oxide material characterized by its semiconducting electronic structure. As a member of the transition metal oxide family, it is primarily studied for its potential role in catalytic processes, specifically regarding oxygen-evolution reactions in electrochemical environments.

Its significance lies in the unique arrangement of iron and lithium ions within the oxygen lattice, which influences its catalytic activity. While it remains a subject of ongoing research, its behavior as a semiconductor makes it an interesting candidate for exploring charge transfer mechanisms in energy storage and conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for LiFe3O4, aggregated across 3 databases.

Band Gap

0.01–1.02 eV
Range across DFT structures

Energy Above Hull

0.039 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 4 space groups
Uses

Applications

Where LiFe3O4 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about LiFe3O4, answered from cross-validated data.

What is LiFe3O4?

LiFe3O4 is a metastable, semiconducting oxide material currently being researched for its potential as an oxygen-evolution catalyst.

More questions
What is LiFe3O4 used for?
LiFe3O4 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of LiFe3O4?
LiFe3O4 has a DFT-computed band gap of 0.01–1.02 eV across 13 reported structures.
Is LiFe3O4 a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is LiFe3O4 thermodynamically stable?
LiFe3O4 has a lowest energy above hull of 0.039 eV/atom (metastable).
How many polymorphs of LiFe3O4 are known?
13 structures of LiFe3O4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiFe3O4 contain?
LiFe3O4 contains Fe, Li, and O (3 elements).
Where does the data for LiFe3O4 come from?
LiFe3O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the class of oxygen-evolution catalysts, LiFe3O4 occupies a distinct position compared to more conventional battery materials like LiCoO2 or LiMn2O4. Unlike the highly stable layered structures of LiCoO2, LiFe3O4 exhibits metastability, which can offer unique surface reactivity profiles for catalysis that are not present in the more thermodynamically robust members like NiO or perovskite-structured oxides such as LaMnO3.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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