Mn2O2F3

Mn2O2F3 is a semiconducting, metastable oxyfluoride material investigated for its potential role in catalyzing the oxygen-evolution reaction.

Crystal structure of Mn2O2F3
Ground-state structure · Materials Project
Overview

About Mn2O2F3

Mn2O2F3 is a semiconducting oxyfluoride that functions within the broader class of oxide oxygen-evolution catalysts. Its unique chemical composition, incorporating both oxygen and fluorine anions, provides an alternative structural framework for facilitating electrochemical water oxidation processes. As a metastable material, it represents a specialized research target for scientists aiming to tune catalytic activity through anion substitution. Its electronic character makes it an intriguing candidate for exploring charge transfer mechanisms in catalytic surfaces where traditional pure oxides may reach performance limits.

At a glance

Key Properties

Cross-validated computational properties for Mn2O2F3, aggregated across 3 databases.

Band Gap

0.53 eV
Range across DFT structures

Energy Above Hull

0.088 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 4 space groups
Uses

Applications

Where Mn2O2F3 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Mn2O2F3, answered from cross-validated data.

What is Mn2O2F3?

Mn2O2F3 is a semiconducting, metastable oxyfluoride material investigated for its potential role in catalyzing the oxygen-evolution reaction.

More questions
What is Mn2O2F3 used for?
Mn2O2F3 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Mn2O2F3?
Mn2O2F3 has a DFT-computed band gap of 0.53 eV across 6 reported structures.
Is Mn2O2F3 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is Mn2O2F3 thermodynamically stable?
Mn2O2F3 has a lowest energy above hull of 0.088 eV/atom (metastable).
How many polymorphs of Mn2O2F3 are known?
6 structures of Mn2O2F3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Mn2O2F3 contain?
Mn2O2F3 contains F, Mn, and O (3 elements).
Where does the data for Mn2O2F3 come from?
Mn2O2F3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized commercial cathodes such as LiCoO2 or LiMn2O4, Mn2O2F3 is a metastable phase that offers a distinct chemical environment for catalytic research. While perovskite-structured materials like LaMnO3 or LaNiO3 are well-established benchmarks in oxygen-evolution catalysis, this oxyfluoride provides a different structural motif that challenges conventional design rules for active sites in electrochemical systems.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

Analyze Mn2O2F3 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →