Fe4O3F5

Fe4O3F5 is a semiconducting oxide fluoride material investigated for its potential role in catalyzing oxygen-evolution reactions.

Crystal structure of Fe4O3F5
Ground-state structure · Materials Project
Overview

About Fe4O3F5

Fe4O3F5 is a complex oxide fluoride material that functions as a semiconductor. Its composition, which incorporates fluorine into an iron-oxide framework, positions it as an intriguing candidate for catalytic research where electronic transport and surface stability are critical factors for performance.

As a metastable phase, this compound represents a specialized material within the broader category of oxygen-evolution catalysts. Its ability to facilitate electrochemical reactions makes it a subject of interest for scientists looking to optimize energy conversion processes through the manipulation of transition metal environments.

At a glance

Key Properties

Cross-validated computational properties for Fe4O3F5, aggregated across 3 databases.

Band Gap

0.09–1.73 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

41
3 databases, 11 space groups
Uses

Applications

Where Fe4O3F5 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Fe4O3F5, answered from cross-validated data.

What is Fe4O3F5?

Fe4O3F5 is a semiconducting oxide fluoride material investigated for its potential role in catalyzing oxygen-evolution reactions.

More questions
What is Fe4O3F5 used for?
Fe4O3F5 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Fe4O3F5?
Fe4O3F5 has a DFT-computed band gap of 0.09–1.73 eV across 41 reported structures.
Is Fe4O3F5 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is Fe4O3F5 thermodynamically stable?
Fe4O3F5 has a lowest energy above hull of 0.046 eV/atom (metastable).
How many polymorphs of Fe4O3F5 are known?
41 structures of Fe4O3F5 are reported across 3 databases, spanning 11 distinct space groups.
What elements does Fe4O3F5 contain?
Fe4O3F5 contains F, Fe, and O (3 elements).
Where does the data for Fe4O3F5 come from?
Fe4O3F5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the more conventional and highly stable oxide catalysts such as NiO or the layered lithium-based oxides like LiCoO2, Fe4O3F5 occupies a distinct niche due to its metastable nature and the inclusion of fluorine anions. While materials like LaMnO3 are widely utilized for their robust perovskite structures, Fe4O3F5 provides a different structural motif that challenges traditional design strategies for oxygen-evolution catalysts.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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