Fe6OF11

Fe6OF11 is a metastable semiconducting oxyfluoride material investigated for its potential utility in oxygen-evolution catalytic applications.

Crystal structure of Fe6OF11
Ground-state structure · Materials Project
Overview

About Fe6OF11

Fe6OF11 is a semiconducting oxide that functions within the specialized class of oxygen-evolution catalysts. As a metastable material, it represents a complex arrangement of iron, oxygen, and fluorine that challenges traditional stability paradigms in catalytic design.

Its unique electronic character makes it a subject of interest for researchers investigating efficient pathways for water splitting. By providing an alternative structural framework, this compound contributes to the broader understanding of how transition metal oxides and oxyfluorides facilitate electrochemical processes.

At a glance

Key Properties

Cross-validated computational properties for Fe6OF11, aggregated across 3 databases.

Band Gap

0.80–1.87 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 4 space groups
Uses

Applications

Where Fe6OF11 is used.

Oxygen-evolution reaction catalysisElectrochemical water splitting research
Reference

Frequently Asked Questions

Common questions about Fe6OF11, answered from cross-validated data.

What is Fe6OF11?

Fe6OF11 is a metastable semiconducting oxyfluoride material investigated for its potential utility in oxygen-evolution catalytic applications.

More questions
What is Fe6OF11 used for?
Fe6OF11 is used in oxygen-evolution reaction catalysis and electrochemical water splitting research.
What is the band gap of Fe6OF11?
Fe6OF11 has a DFT-computed band gap of 0.80–1.87 eV across 17 reported structures.
Is Fe6OF11 a metal, semiconductor, or insulator?
With a band gap up to 1.87 eV it is a semiconductor.
Is Fe6OF11 thermodynamically stable?
Fe6OF11 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of Fe6OF11 are known?
17 structures of Fe6OF11 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Fe6OF11 contain?
Fe6OF11 contains F, Fe, and O (3 elements).
Where does the data for Fe6OF11 come from?
Fe6OF11 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse landscape of oxygen-evolution catalysts, Fe6OF11 occupies a distinct niche compared to more conventional transition metal oxides like NiO or the layered perovskites such as LaNiO3. While materials like LiCoO2 or LaMnO3 are often studied for their well-defined structural stability and predictable redox behavior, Fe6OF11 stands out as a metastable candidate that offers different coordination environments for catalytic activity.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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