Cr2OF2

Cr2OF2 is a metastable, semiconducting spinel oxide catalyst utilized in advanced chemical research.

Crystal structure of Cr2OF2
Ground-state structure · Materials Project
Overview

About Cr2OF2

Cr2OF2 is a specialized semiconducting material within the spinel oxide catalyst family. Its unique composition of chromium, oxygen, and fluorine gives it distinct electronic properties that make it a subject of interest for researchers investigating complex catalytic pathways. Although it is classified as a metastable phase, its structural diversity across multiple databases highlights its significance in materials science research. This compound is primarily studied for its potential to facilitate chemical transformations where traditional oxide catalysts might be limited. Its semiconducting nature allows for interesting charge transfer dynamics, which are essential for surface-active catalytic processes.

At a glance

Key Properties

Cross-validated computational properties for Cr2OF2, aggregated across 3 databases.

Band Gap

0.53 eV
Range across DFT structures

Energy Above Hull

0.086 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Cr2OF2 is used.

Heterogeneous catalysisChemical synthesisMaterials science research
Reference

Frequently Asked Questions

Common questions about Cr2OF2, answered from cross-validated data.

What is Cr2OF2?

Cr2OF2 is a metastable, semiconducting spinel oxide catalyst utilized in advanced chemical research.

More questions
What is Cr2OF2 used for?
Cr2OF2 is used in heterogeneous catalysis, chemical synthesis, and materials science research.
What is the band gap of Cr2OF2?
Cr2OF2 has a DFT-computed band gap of 0.53 eV across 10 reported structures.
Is Cr2OF2 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is Cr2OF2 thermodynamically stable?
Cr2OF2 has a lowest energy above hull of 0.086 eV/atom (metastable).
How many polymorphs of Cr2OF2 are known?
10 structures of Cr2OF2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cr2OF2 contain?
Cr2OF2 contains Cr, F, and O (3 elements).
Where does the data for Cr2OF2 come from?
Cr2OF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized binary oxides such as NiO or ZnO, Cr2OF2 exists in a metastable state, requiring more precise synthesis control. While complex perovskites like LaMnO3 or LaNiO3 are frequently employed for their robust electronic conductivity, Cr2OF2 offers a different structural framework that may provide unique active sites for specific catalytic reactions that are not easily accessible with standard spinel structures like MgAl2O4.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

Analyze Cr2OF2 in the Lattice Graph platform

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

Explore the Platform →