ZnOF

ZnOF is a semiconducting oxyfluoride material that exists as a metastable phase within the broader category of spinel-related catalysts.

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

About ZnOF

ZnOF is a semiconducting oxyfluoride that belongs to the broader family of spinel oxide catalysts. Its unique composition incorporates fluorine into the anionic lattice, which alters the electronic environment compared to traditional oxide-only systems.

While it is currently classified as a metastable phase residing above the thermodynamic hull, it remains a subject of interest for researchers exploring novel catalytic pathways. Its structural complexity is highlighted by the multiple reported configurations found in materials databases.

At a glance

Key Properties

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

Band Gap

0.52–0.88 eV
Range across DFT structures

Energy Above Hull

0.104 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

13
2 databases, 5 space groups
Uses

Applications

Where ZnOF is used.

Catalysis researchMaterials science explorationElectronic property studies
Reference

Frequently Asked Questions

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

What is ZnOF?

ZnOF is a semiconducting oxyfluoride material that exists as a metastable phase within the broader category of spinel-related catalysts.

More questions
What is ZnOF used for?
ZnOF is used in catalysis research, materials science exploration, and electronic property studies.
What is the band gap of ZnOF?
ZnOF has a DFT-computed band gap of 0.52–0.88 eV across 13 reported structures.
Is ZnOF a metal, semiconductor, or insulator?
With a band gap up to 0.88 eV it is a semiconductor.
Is ZnOF thermodynamically stable?
ZnOF has a lowest energy above hull of 0.104 eV/atom (above hull).
How many polymorphs of ZnOF are known?
13 structures of ZnOF are reported across 2 databases, spanning 5 distinct space groups.
What elements does ZnOF contain?
ZnOF contains F, O, and Zn (3 elements).
Where does the data for ZnOF come from?
ZnOF data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike highly stable and widely utilized oxides such as ZnO or the robust spinel MgAl2O4, ZnOF represents a more exotic and less thermodynamically favored member of this catalytic class. While compounds like LaMnO3 are prized for their structural stability in demanding redox environments, ZnOF is primarily studied for the unique electronic properties imparted by its oxyfluoride nature.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

Analyze ZnOF in the Lattice Graph platform

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

Explore the Platform →