V2NiO6

V2NiO6 is a stable, semiconducting nickel-vanadium oxide used primarily in research for oxygen-evolution catalysis applications.

Crystal structure of V2NiO6
Ground-state structure · Materials Project
Overview

About V2NiO6

V2NiO6 is a semiconducting oxide that functions as a key material in the field of oxygen-evolution catalysis. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that is highly relevant for electrochemical energy conversion processes.

Its significance lies in its ability to facilitate complex redox reactions at the electrode-electrolyte interface. With multiple reported structures across major databases, this compound serves as a critical subject for researchers aiming to optimize the efficiency and longevity of catalytic systems.

At a glance

Key Properties

Cross-validated computational properties for V2NiO6, aggregated across 3 databases.

Band Gap

1.62–2.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where V2NiO6 is used.

Oxygen-evolution catalysisElectrochemical energy conversionElectrode material research
Reference

Frequently Asked Questions

Common questions about V2NiO6, answered from cross-validated data.

What is V2NiO6?

V2NiO6 is a stable, semiconducting nickel-vanadium oxide used primarily in research for oxygen-evolution catalysis applications.

More questions
What is V2NiO6 used for?
V2NiO6 is used in oxygen-evolution catalysis, electrochemical energy conversion, and electrode material research.
What is the band gap of V2NiO6?
V2NiO6 has a DFT-computed band gap of 1.62–2.70 eV across 14 reported structures.
Is V2NiO6 a metal, semiconductor, or insulator?
With a band gap up to 2.70 eV it is a semiconductor.
Is V2NiO6 thermodynamically stable?
Yes — V2NiO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of V2NiO6 are known?
14 structures of V2NiO6 are reported across 3 databases, spanning 4 distinct space groups.
What elements does V2NiO6 contain?
V2NiO6 contains Ni, O, and V (3 elements).
Where does the data for V2NiO6 come from?
V2NiO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse class of oxide oxygen-evolution catalysts, V2NiO6 occupies a distinct niche compared to more conventional materials like NiO or the layered LiNiO2. While many members of this group, such as LaNiO3 or La2NiO4, rely on specific perovskite-derived architectures to drive catalytic activity, V2NiO6 provides a unique electronic environment that complements the performance profiles of these more widely recognized transition metal oxides.

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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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