Ni3O4

Ni3O4 is a thermodynamically stable, metallic oxide material that serves as a promising candidate for oxygen-evolution catalysis.

Crystal structure of Ni3O4
Ground-state structure · Materials Project
Overview

About Ni3O4

Ni3O4 is a metallic oxide that stands out as a thermodynamically stable member of the oxygen-evolution catalyst family. Its electronic nature, characterized by the absence of a band gap, facilitates efficient electron transfer, which is a critical requirement for high-performance catalytic processes in electrochemical systems.

Given its status as a stable phase, this compound is a subject of significant interest for researchers developing next-generation energy conversion materials. Its structural versatility is highlighted by a substantial number of reported configurations, providing a robust foundation for exploring its potential in various catalytic environments.

At a glance

Key Properties

Cross-validated computational properties for Ni3O4, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

40
4 databases, 9 space groups
Uses

Applications

Where Ni3O4 is used.

Oxygen-evolution catalysisElectrochemical energy conversionElectrocatalytic research
Reference

Frequently Asked Questions

Common questions about Ni3O4, answered from cross-validated data.

What is Ni3O4?

Ni3O4 is a thermodynamically stable, metallic oxide material that serves as a promising candidate for oxygen-evolution catalysis.

More questions
What is Ni3O4 used for?
Ni3O4 is used in oxygen-evolution catalysis, electrochemical energy conversion, and electrocatalytic research.
What is the band gap of Ni3O4?
Ni3O4 is computed to be metallic (no band gap) in the reported DFT structures.
Is Ni3O4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ni3O4 thermodynamically stable?
Yes — Ni3O4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ni3O4 are known?
40 structures of Ni3O4 are reported across 4 databases, spanning 9 distinct space groups.
What elements does Ni3O4 contain?
Ni3O4 contains Ni and O (2 elements).
Where does the data for Ni3O4 come from?
Ni3O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse landscape of oxide catalysts, Ni3O4 occupies a distinct position compared to more conventional insulators or semiconductors like NiO or LiCoO2. While many members of this class, such as LaNiO3 or LiMn2O4, are extensively utilized in battery technologies, the metallic character of Ni3O4 offers unique advantages for surface-driven oxygen-evolution reactions where rapid charge carrier mobility is essential.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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