F9Fe10O11
F9Fe10O11 is a metastable semiconducting iron oxyfluoride used in the study of oxygen-evolution catalysis.
About F9Fe10O11
F9Fe10O11 is a complex iron-based oxyfluoride that functions as a semiconducting material within the broader category of oxygen-evolution catalysts. Its composition, blending oxygen and fluorine anions with iron, places it in a specialized niche where electronic properties are tuned by the presence of electronegative species.
This compound is characterized by its metastable nature, which makes it a subject of significant interest for researchers aiming to optimize catalytic pathways. By participating in oxygen-evolution reactions, it serves as a potential candidate for advanced electrochemical energy conversion systems where structural stability and electronic conductivity must be carefully balanced.
Key Properties
Cross-validated computational properties for F9Fe10O11, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for F9Fe10O11, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 0.31 | 0.0908 | -7.176 | 4.35 |
| P1 (No. 1) | triclinic | 0.29 | 0.0921 | -7.175 | 4.36 |
| P1 (No. 1) | triclinic | 0.00 | 0.0921 | -7.175 | 4.36 |
| P1 (No. 1) | triclinic | 0.28 | 0.0922 | -7.175 | 4.37 |
| P1 (No. 1) | triclinic | 0.00 | 0.0933 | -7.174 | 4.38 |
| Pm (No. 6) | monoclinic | 0.32 | 0.0939 | -7.173 | 4.37 |
| P1 (No. 1) | triclinic | 0.00 | 0.0942 | -7.173 | 4.34 |
| P1 (No. 1) | triclinic | 0.00 | 0.0952 | -7.172 | 4.38 |
| P1 (No. 1) | triclinic | 0.00 | 0.0952 | -7.172 | 4.37 |
| P1 (No. 1) | triclinic | 0.00 | 0.0965 | -7.171 | 4.37 |
| P1 (No. 1) | triclinic | 0.00 | 0.0972 | -7.170 | 4.38 |
| P1 (No. 1) | triclinic | 0.00 | 0.0976 | -7.169 | 4.39 |
Applications
Where F9Fe10O11 is used.
Frequently Asked Questions
Common questions about F9Fe10O11, answered from cross-validated data.
What is F9Fe10O11?
F9Fe10O11 is a metastable semiconducting iron oxyfluoride used in the study of oxygen-evolution catalysis.
What is F9Fe10O11 used for?
What is the band gap of F9Fe10O11?
Is F9Fe10O11 a metal, semiconductor, or insulator?
Is F9Fe10O11 thermodynamically stable?
What is the crystal structure of F9Fe10O11?
What is the density of F9Fe10O11?
How many polymorphs of F9Fe10O11 are known?
What elements does F9Fe10O11 contain?
Where does the data for F9Fe10O11 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the well-established transition metal oxides such as NiO or the layered lithium-intercalated oxides like LiCoO2 and LiNiO2, F9Fe10O11 introduces fluorine into the lattice to modulate its catalytic performance. While perovskite-structured materials like LaMnO3 or BiFeO3 rely on specific cation arrangements for their activity, this oxyfluoride leverages the unique electronegativity of fluorine to influence the electronic environment of the iron centers, distinguishing it from the purely oxide-based members of its class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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