NiO2F
NiO2F is a semiconducting nickel oxyfluoride material explored for its potential role in oxygen-evolution catalytic processes.
About NiO2F
NiO2F is a semiconducting nickel-based oxyfluoride that belongs to the broader class of oxide oxygen-evolution catalysts. Its composition integrates fluorine into the nickel-oxide framework, creating a distinct electronic environment that is of significant interest for researchers investigating catalytic surface reactions.
While this compound is characterized by a high energy state relative to its ground-state phases, its existence across multiple structural databases highlights its importance in materials discovery. It serves as a model system for understanding how anion substitution influences the catalytic behavior of transition metal oxides.
Key Properties
Cross-validated computational properties for NiO2F, 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 NiO2F is used.
Frequently Asked Questions
Common questions about NiO2F, answered from cross-validated data.
What is NiO2F?
NiO2F is a semiconducting nickel oxyfluoride material explored for its potential role in oxygen-evolution catalytic processes.
What is NiO2F used for?
What is the band gap of NiO2F?
Is NiO2F a metal, semiconductor, or insulator?
Is NiO2F thermodynamically stable?
How many polymorphs of NiO2F are known?
What elements does NiO2F contain?
Where does the data for NiO2F come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, NiO2F occupies a unique position compared to more conventional materials like NiO or LiNiO2. Unlike these stable, well-characterized oxides, NiO2F represents a more complex, metastable phase that challenges standard synthesis methods, offering a different pathway for tuning catalytic activity through the inclusion of electronegative fluorine.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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