Ni4O44P16
Ni4O44P16 is a thermodynamically stable, wide-gap insulating phosphate oxide utilized in the study of oxygen-evolution catalysis.
About Ni4O44P16
Ni4O44P16 is a complex phosphate-based oxide characterized by its wide-gap insulating electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline configuration within the broader family of oxygen-evolution catalysts.
Its unique structural arrangement makes it a subject of interest for electrochemical research. By leveraging its stable framework, scientists investigate its potential to facilitate oxygen-evolution reactions, contributing to the development of more efficient catalytic materials for energy conversion.
Key Properties
Cross-validated computational properties for Ni4O44P16, 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.
Applications
Where Ni4O44P16 is used.
Frequently Asked Questions
Common questions about Ni4O44P16, answered from cross-validated data.
What is Ni4O44P16?
Ni4O44P16 is a thermodynamically stable, wide-gap insulating phosphate oxide utilized in the study of oxygen-evolution catalysis.
What is Ni4O44P16 used for?
What is the band gap of Ni4O44P16?
Is Ni4O44P16 a metal, semiconductor, or insulator?
Is Ni4O44P16 thermodynamically stable?
How many polymorphs of Ni4O44P16 are known?
What elements does Ni4O44P16 contain?
Where does the data for Ni4O44P16 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly conductive transition metal oxides such as LaNiO3 or the layered lithium-based intercalation materials like LiCoO2 and LiNiO2, Ni4O44P16 is distinguished by its insulating electronic nature. While many members of this class, such as NiO or LaMnO3, are metallic or semi-conductive, this phosphate-based structure offers a distinct chemical environment that challenges traditional catalytic design paradigms.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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