AsNiO2
AsNiO2 is a thermodynamically stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
About AsNiO2
AsNiO2 is a semiconducting oxide that sits on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst class, it leverages its specific electronic configuration to facilitate complex electrochemical reactions at the surface interface. Its unique composition makes it a subject of interest for researchers optimizing energy conversion processes. The material is primarily investigated for its potential in high-efficiency catalytic systems where stability and electronic performance are critical for long-term operation. By providing a robust framework for oxygen-evolution pathways, it serves as a specialized alternative to more traditional transition metal oxides.
Key Properties
Cross-validated computational properties for AsNiO2, 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 AsNiO2. 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 AsNiO2 is used.
Frequently Asked Questions
Common questions about AsNiO2, answered from cross-validated data.
What is AsNiO2?
AsNiO2 is a thermodynamically stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
What is AsNiO2 used for?
What is the band gap of AsNiO2?
Is AsNiO2 a metal, semiconductor, or insulator?
Is AsNiO2 thermodynamically stable?
How many polymorphs of AsNiO2 are known?
What elements does AsNiO2 contain?
Where does the data for AsNiO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad family of oxygen-evolution catalysts, AsNiO2 offers a distinct electronic profile compared to well-known compounds like NiO or LiNiO2. While many members of this class, such as LaNiO3 or LiCoO2, rely on specific intercalation or perovskite-based architectures to drive catalytic activity, AsNiO2 utilizes its unique stoichiometry to maintain stability while participating in surface-mediated redox processes.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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