Fe6O5F7

Fe6O5F7 is a metastable, semiconducting oxyfluoride material investigated for its potential utility as a catalyst in oxygen-evolution reactions.

Crystal structure of Fe6O5F7
Ground-state structure · Materials Project
Overview

About Fe6O5F7

Fe6O5F7 is a complex oxyfluoride compound categorized within the broader family of oxide-based oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are of significant interest for researchers investigating efficient charge transfer mechanisms in electrochemical energy conversion.

Despite its metastable nature, this compound represents a specialized niche in catalytic research. Its structural complexity and composition allow it to serve as a candidate for exploring advanced catalytic surfaces, contributing to the ongoing development of more durable and active materials for water electrolysis.

At a glance

Key Properties

Cross-validated computational properties for Fe6O5F7, aggregated across 2 databases.

Band Gap

0.85–1.59 eV
Range across DFT structures

Energy Above Hull

0.091 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

32
2 databases, 5 space groups
Uses

Applications

Where Fe6O5F7 is used.

Electrochemical water splittingOxygen-evolution catalysis research
Reference

Frequently Asked Questions

Common questions about Fe6O5F7, answered from cross-validated data.

What is Fe6O5F7?

Fe6O5F7 is a metastable, semiconducting oxyfluoride material investigated for its potential utility as a catalyst in oxygen-evolution reactions.

More questions
What is Fe6O5F7 used for?
Fe6O5F7 is used in electrochemical water splitting and oxygen-evolution catalysis research.
What is the band gap of Fe6O5F7?
Fe6O5F7 has a DFT-computed band gap of 0.85–1.59 eV across 32 reported structures.
Is Fe6O5F7 a metal, semiconductor, or insulator?
With a band gap up to 1.59 eV it is a semiconductor.
Is Fe6O5F7 thermodynamically stable?
Fe6O5F7 has a lowest energy above hull of 0.091 eV/atom (metastable).
How many polymorphs of Fe6O5F7 are known?
32 structures of Fe6O5F7 are reported across 2 databases, spanning 5 distinct space groups.
What elements does Fe6O5F7 contain?
Fe6O5F7 contains F, Fe, and O (3 elements).
Where does the data for Fe6O5F7 come from?
Fe6O5F7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized battery cathode materials such as LiCoO2 or LiMn2O4, Fe6O5F7 exists in a metastable state that presents distinct challenges and opportunities for synthesis. While perovskite-structured oxides like LaMnO3 or BiFeO3 are frequently studied for their robust oxygen-evolution performance, Fe6O5F7 offers a different chemical landscape by incorporating fluorine, which can significantly alter the local coordination environment and electronic behavior compared to traditional pure oxide 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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