AsFeO2
AsFeO2 is a metastable semiconducting oxide being researched for its potential as an oxygen-evolution catalyst in electrochemical applications.
About AsFeO2
AsFeO2 is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its metastable nature suggests unique structural configurations that are of interest for fundamental studies in electrochemical energy conversion processes. The material represents a niche composition within iron-based oxides, where the integration of arsenic influences its electronic behavior. Researchers examine such compounds to understand how non-traditional stoichiometry impacts the efficiency and durability of catalytic surfaces in aqueous environments.
Key Properties
Cross-validated computational properties for AsFeO2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsFeO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where AsFeO2 is used.
Frequently Asked Questions
Common questions about AsFeO2, answered from cross-validated data.
What is AsFeO2?
AsFeO2 is a metastable semiconducting oxide being researched for its potential as an oxygen-evolution catalyst in electrochemical applications.
What is AsFeO2 used for?
What is the band gap of AsFeO2?
Is AsFeO2 a metal, semiconductor, or insulator?
Is AsFeO2 thermodynamically stable?
How many polymorphs of AsFeO2 are known?
What elements does AsFeO2 contain?
Where does the data for AsFeO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more widely adopted and thermodynamically stable battery cathode materials such as LiCoO2 or LiMn2O4, AsFeO2 occupies a more specialized role as a metastable catalyst. While perovskite-structured oxides like LaMnO3 or BiFeO3 are frequently studied for their robust catalytic performance, AsFeO2 offers a distinct electronic profile due to its specific arsenic-iron-oxygen arrangement, positioning it as an exploratory candidate for electrochemical research.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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