CuO2F

CuO2F is a metastable, semiconducting spinel oxide catalyst that is currently being explored for its unique structural and electronic properties in chemical synthesis.

Crystal structure of CuO2F
Ground-state structure · Materials Project
Overview

About CuO2F

CuO2F is a complex inorganic compound belonging to the spinel oxide catalyst family. Characterized by its semiconducting electronic nature, this material represents a unique intersection of copper, oxygen, and fluorine chemistry within a spinel-like framework. Its metastable state makes it a subject of significant interest for researchers investigating non-equilibrium phase synthesis and structural tuning. Due to its distinct electronic configuration, it is primarily studied for its potential to facilitate chemical transformations in specialized catalytic environments. The material is notable for its structural diversity, with multiple reported configurations that highlight the flexibility of its atomic arrangement.

At a glance

Key Properties

Cross-validated computational properties for CuO2F, aggregated across 3 databases.

Band Gap

0.78 eV
Range across DFT structures

Energy Above Hull

0.069 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 3 space groups
Uses

Applications

Where CuO2F is used.

Advanced catalytic processesMaterials science researchChemical synthesis
Reference

Frequently Asked Questions

Common questions about CuO2F, answered from cross-validated data.

What is CuO2F?

CuO2F is a metastable, semiconducting spinel oxide catalyst that is currently being explored for its unique structural and electronic properties in chemical synthesis.

More questions
What is CuO2F used for?
CuO2F is used in advanced catalytic processes, materials science research, and chemical synthesis.
What is the band gap of CuO2F?
CuO2F has a DFT-computed band gap of 0.78 eV across 15 reported structures.
Is CuO2F a metal, semiconductor, or insulator?
With a band gap up to 0.78 eV it is a semiconductor.
Is CuO2F thermodynamically stable?
CuO2F has a lowest energy above hull of 0.069 eV/atom (metastable).
How many polymorphs of CuO2F are known?
15 structures of CuO2F are reported across 3 databases, spanning 3 distinct space groups.
What elements does CuO2F contain?
CuO2F contains Cu, F, and O (3 elements).
Where does the data for CuO2F come from?
CuO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

While traditional spinel oxides like MgAl2O4 are known for their robust thermodynamic stability and widespread structural predictability, CuO2F occupies a more niche, metastable position within the broader class that includes simple binary oxides like CuO and ZnO. Unlike the perovskite-structured members such as LaNiO3 or LaMnO3, which are frequently utilized for their magnetic and metallic properties, CuO2F leverages its semiconducting nature and fluorine-integrated lattice to offer a different catalytic pathway, distinguishing it from the more stable, conventional ceramic oxides.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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