Co2O3F
Co2O3F is a metastable cobalt-based oxyfluoride that functions as a semimetallic material within the field of oxygen-evolution catalysis.
About Co2O3F
Co2O3F is a complex oxyfluoride belonging to the class of oxide oxygen-evolution catalysts. Its unique composition of cobalt, oxygen, and fluorine results in a semimetallic electronic character, making it an intriguing subject for investigating charge transport in catalytic environments.
As a metastable phase, this compound represents a challenging yet rewarding target for materials synthesis and characterization. Its structural complexity and electronic profile position it as a specialized candidate for researchers exploring non-traditional pathways for oxygen-evolution reaction efficiency.
Key Properties
Cross-validated computational properties for Co2O3F, 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 Co2O3F, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0833 | -6.477 | 5.11 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0891 | -6.471 | 5.11 |
| Aem2 (No. 39) | orthorhombic | 0.00 | 0.0917 | -6.469 | 5.18 |
| Cmc21 (No. 36) | orthorhombic | 0.06 | 0.0927 | -6.468 | 5.17 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0929 | -6.468 | 5.19 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0932 | -6.467 | 5.38 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0955 | -6.465 | 5.44 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1004 | -6.460 | 5.41 |
| Cm (No. 8) | monoclinic | 0.02 | 0.1010 | -6.459 | 5.13 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1029 | -6.458 | 5.12 |
| Amm2 (No. 38) | orthorhombic | 0.01 | 0.1038 | -6.457 | 5.11 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1053 | -6.455 | 5.42 |
Applications
Where Co2O3F is used.
Frequently Asked Questions
Common questions about Co2O3F, answered from cross-validated data.
What is Co2O3F?
Co2O3F is a metastable cobalt-based oxyfluoride that functions as a semimetallic material within the field of oxygen-evolution catalysis.
What is Co2O3F used for?
What is the band gap of Co2O3F?
Is Co2O3F a metal, semiconductor, or insulator?
Is Co2O3F thermodynamically stable?
What is the crystal structure of Co2O3F?
What is the density of Co2O3F?
How many polymorphs of Co2O3F are known?
What elements does Co2O3F contain?
Where does the data for Co2O3F come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad landscape of oxide oxygen-evolution catalysts, Co2O3F occupies a distinct niche compared to more conventional, highly stable oxides like LiCoO2 or LaMnO3. While many of its class members are characterized by robust, long-term thermodynamic stability, Co2O3F offers a metastable alternative that may provide unique surface reactivity profiles not found in the more common perovskite or spinel-structured catalysts.
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).
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