Ca4Fe9O17
Ca4Fe9O17 is a metastable, semiconducting iron-based oxide explored for its potential performance as a catalyst in oxygen-evolution reactions.
About Ca4Fe9O17
Ca4Fe9O17 is a semiconducting oxide that functions within the specialized class of oxygen-evolution catalysts. Its complex stoichiometry and metastable nature make it a subject of significant interest for researchers aiming to optimize catalytic performance in electrochemical systems.
As a material characterized by its specific iron-calcium-oxygen arrangement, it serves as a platform for studying charge transfer mechanisms during water splitting. Its electronic behavior is central to its potential utility in sustainable energy technologies where efficient oxygen production is a critical bottleneck.
Key Properties
Cross-validated computational properties for Ca4Fe9O17, aggregated across 4 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 Ca4Fe9O17 is used.
Frequently Asked Questions
Common questions about Ca4Fe9O17, answered from cross-validated data.
What is Ca4Fe9O17?
Ca4Fe9O17 is a metastable, semiconducting iron-based oxide explored for its potential performance as a catalyst in oxygen-evolution reactions.
What is Ca4Fe9O17 used for?
What is the band gap of Ca4Fe9O17?
Is Ca4Fe9O17 a metal, semiconductor, or insulator?
Is Ca4Fe9O17 thermodynamically stable?
How many polymorphs of Ca4Fe9O17 are known?
What elements does Ca4Fe9O17 contain?
Where does the data for Ca4Fe9O17 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad landscape of oxide oxygen-evolution catalysts, Ca4Fe9O17 occupies a distinct niche compared to more conventional perovskite-structured materials like LaMnO3 or BiFeO3. While many of its class members are highly stable, this compound is noted for its metastability, offering a different structural pathway for catalytic activity that contrasts with the robust, well-studied frameworks of lithium-based oxides like LiCoO2 or LiMn2O4.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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