CrOF
CrOF is a semiconducting oxyfluoride material that serves as a promising candidate for specialized catalytic applications due to its unique chemical composition.
About CrOF
CrOF is a semiconducting oxyfluoride that occupies a unique position within the broader family of spinel oxide catalysts. Its composition, incorporating both oxygen and fluorine, allows for distinct electronic tuning compared to traditional oxide-only systems, making it an intriguing candidate for advanced catalytic research.
As a material identified as being near-hull, CrOF is considered a likely candidate for experimental synthesis. Its presence across multiple structural databases highlights its significance as a subject of computational interest for researchers aiming to expand the functional diversity of transition metal-based catalytic materials.
Key Properties
Cross-validated computational properties for CrOF, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where CrOF is used.
Frequently Asked Questions
Common questions about CrOF, answered from cross-validated data.
What is CrOF?
CrOF is a semiconducting oxyfluoride material that serves as a promising candidate for specialized catalytic applications due to its unique chemical composition.
What is CrOF used for?
What is the band gap of CrOF?
Is CrOF a metal, semiconductor, or insulator?
Is CrOF thermodynamically stable?
How many polymorphs of CrOF are known?
What elements does CrOF contain?
Where does the data for CrOF come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike standard binary oxides such as NiO or ZnO, which are widely utilized for their well-characterized electronic properties, CrOF introduces the complexity of an oxyfluoride framework. While complex oxides like LaMnO3 or MgAl2O4 are staples in catalytic applications, CrOF represents a more specialized, emerging member of the class that bridges the gap between simple oxides and more intricate structural motifs.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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