Li2FeO3

Li2FeO3 is a stable, semiconducting iron-based oxide utilized primarily for its potential as an oxygen-evolution catalyst in electrochemical applications.

Crystal structure of Li2FeO3
Ground-state structure · Materials Project
Overview

About Li2FeO3

Li2FeO3 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating robust structural stability. As a member of the oxide oxygen-evolution catalyst family, it plays a vital role in electrochemical energy conversion processes where stable, active surfaces are required for efficient gas production.

This compound is characterized by its significant structural diversity, with numerous reported configurations across major materials databases. Its electronic nature makes it a compelling candidate for research into sustainable energy storage and conversion technologies, particularly where iron-based oxides offer a cost-effective alternative to precious metal catalysts.

At a glance

Key Properties

Cross-validated computational properties for Li2FeO3, aggregated across 3 databases.

Band Gap

0.07–1.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 4 space groups
Uses

Applications

Where Li2FeO3 is used.

Oxygen-evolution catalysisElectrochemical energy conversionCatalytic research
Reference

Frequently Asked Questions

Common questions about Li2FeO3, answered from cross-validated data.

What is Li2FeO3?

Li2FeO3 is a stable, semiconducting iron-based oxide utilized primarily for its potential as an oxygen-evolution catalyst in electrochemical applications.

More questions
What is Li2FeO3 used for?
Li2FeO3 is used in oxygen-evolution catalysis, electrochemical energy conversion, and catalytic research.
What is the band gap of Li2FeO3?
Li2FeO3 has a DFT-computed band gap of 0.07–1.03 eV across 12 reported structures.
Is Li2FeO3 a metal, semiconductor, or insulator?
With a band gap up to 1.03 eV it is a semiconductor.
Is Li2FeO3 thermodynamically stable?
Yes — Li2FeO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2FeO3 are known?
12 structures of Li2FeO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2FeO3 contain?
Li2FeO3 contains Fe, Li, and O (3 elements).
Where does the data for Li2FeO3 come from?
Li2FeO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse class of oxide oxygen-evolution catalysts, Li2FeO3 distinguishes itself through its specific lithium-iron-oxygen stoichiometry compared to more traditional transition metal oxides like NiO or LiCoO2. While materials such as LiNiO2 and LiCoO2 are primarily recognized for their roles in battery cathodes, Li2FeO3 leverages its unique electronic structure to facilitate catalytic surface reactions, positioning it as a distinct functional material alongside complex perovskites like LaMnO3 or BiFeO3.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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