Mn2O3F

Mn2O3F is a metastable semiconducting oxyfluoride material investigated for its potential as an oxygen-evolution catalyst.

Crystal structure of Mn2O3F
Ground-state structure · Materials Project
Overview

About Mn2O3F

Mn2O3F is a semiconducting oxyfluoride that functions within the broader class of oxide oxygen-evolution catalysts. Its unique chemical composition, incorporating both oxygen and fluorine, creates a distinct electronic environment that influences its catalytic potential in electrochemical systems.

As a metastable phase, this compound represents a specialized material of interest for researchers investigating non-equilibrium structures. Its role as an oxygen-evolution catalyst positions it as a subject for study in the development of efficient energy conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for Mn2O3F, aggregated across 2 databases.

Band Gap

1.57 eV
Range across DFT structures

Energy Above Hull

0.068 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

29
2 databases, 9 space groups
Uses

Applications

Where Mn2O3F is used.

Electrochemical energy storage researchOxygen-evolution catalysis
Reference

Frequently Asked Questions

Common questions about Mn2O3F, answered from cross-validated data.

What is Mn2O3F?

Mn2O3F is a metastable semiconducting oxyfluoride material investigated for its potential as an oxygen-evolution catalyst.

More questions
What is Mn2O3F used for?
Mn2O3F is used in electrochemical energy storage research and oxygen-evolution catalysis.
What is the band gap of Mn2O3F?
Mn2O3F has a DFT-computed band gap of 1.57 eV across 29 reported structures.
Is Mn2O3F a metal, semiconductor, or insulator?
With a band gap up to 1.57 eV it is a semiconductor.
Is Mn2O3F thermodynamically stable?
Mn2O3F has a lowest energy above hull of 0.068 eV/atom (metastable).
How many polymorphs of Mn2O3F are known?
29 structures of Mn2O3F are reported across 2 databases, spanning 9 distinct space groups.
What elements does Mn2O3F contain?
Mn2O3F contains F, Mn, and O (3 elements).
Where does the data for Mn2O3F come from?
Mn2O3F data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse group of oxide oxygen-evolution catalysts, Mn2O3F stands out as a metastable oxyfluoride, contrasting with the highly stable and widely utilized transition metal oxides like NiO or the complex perovskite structures such as LaMnO3. While many of its class members are optimized for long-term structural durability in catalytic cycles, Mn2O3F offers a unique chemical landscape that differentiates it from the more traditional lithium-intercalation oxides like LiCoO2 and LiMn2O4.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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