CaNiO2
CaNiO2 is a thermodynamically stable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
About CaNiO2
CaNiO2 is a semiconducting oxide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the oxygen-evolution catalyst class, it represents an interesting candidate for electrochemical energy conversion processes where structural integrity is paramount.
With numerous reported structures across major databases, this compound is a subject of extensive crystallographic interest. Its electronic character and composition make it a valuable material for researchers investigating the fundamental mechanisms of catalytic oxygen production in oxide systems.
Key Properties
Cross-validated computational properties for CaNiO2, 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting CaNiO2.
Applications
Where CaNiO2 is used.
Frequently Asked Questions
Common questions about CaNiO2, answered from cross-validated data.
What is CaNiO2?
CaNiO2 is a thermodynamically stable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
What is CaNiO2 used for?
What is the band gap of CaNiO2?
Is CaNiO2 a metal, semiconductor, or insulator?
Is CaNiO2 thermodynamically stable?
How many polymorphs of CaNiO2 are known?
How is CaNiO2 synthesized?
What elements does CaNiO2 contain?
Where does the data for CaNiO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide catalysts, CaNiO2 distinguishes itself from more common battery-related materials like LiCoO2 or LiNiO2 by its specific structural arrangement. While compounds such as LaNiO3 or La2NiO4 are widely recognized for their roles in high-temperature catalysis, CaNiO2 offers a distinct alternative for researchers exploring the stability-performance trade-offs inherent in nickel-based oxygen-evolution catalysts.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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