BaNiO2
BaNiO2 is a metastable, semiconducting oxide compound primarily researched for its potential utility in oxygen-evolution catalysis.
About BaNiO2
BaNiO2 is a complex oxide featuring a semiconducting electronic character. As a metastable material, it represents a specialized niche within the broader family of transition metal oxides, offering distinct structural arrangements that influence its reactivity in catalytic environments. Its composition of barium, nickel, and oxygen allows for unique coordination geometries that are of significant interest to researchers exploring advanced functional materials. The compound is primarily studied for its potential role in oxygen-evolution reactions, where its electronic properties are leveraged to facilitate efficient electrochemical processes. By providing a stable yet reactive framework, it serves as a platform for understanding how structural metastability can be tuned to enhance catalytic performance in energy-related applications.
Key Properties
Cross-validated computational properties for BaNiO2, 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 BaNiO2.
Applications
Where BaNiO2 is used.
Frequently Asked Questions
Common questions about BaNiO2, answered from cross-validated data.
What is BaNiO2?
BaNiO2 is a metastable, semiconducting oxide compound primarily researched for its potential utility in oxygen-evolution catalysis.
What is BaNiO2 used for?
What is the band gap of BaNiO2?
Is BaNiO2 a metal, semiconductor, or insulator?
Is BaNiO2 thermodynamically stable?
How many polymorphs of BaNiO2 are known?
How is BaNiO2 synthesized?
What elements does BaNiO2 contain?
Where does the data for BaNiO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, BaNiO2 occupies a distinct position compared to more conventional materials like NiO or the widely utilized layered oxides such as LiCoO2 and LiNiO2. While many of its siblings rely on well-defined layered or spinel architectures to achieve stability and conductivity, BaNiO2 is characterized by its metastable nature, which sets it apart from the more robust, thermodynamically stable perovskite-related structures like LaNiO3 or LaMnO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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