Ni1O3P1

Ni1O3P1 is a thermodynamically stable semiconducting oxide material primarily investigated for its potential as an oxygen-evolution catalyst.

Overview

About Ni1O3P1

Ni1O3P1 is a semiconducting oxide that sits firmly on the convex hull, indicating exceptional thermodynamic stability. As a member of the oxygen-evolution catalyst class, it plays a critical role in electrochemical processes where efficient charge transfer and structural integrity are paramount.

Its electronic character makes it a subject of significant interest for researchers aiming to optimize catalytic pathways. By leveraging its stable framework, this compound serves as a robust candidate for advancing the efficiency of water-splitting technologies and related energy conversion systems.

At a glance

Key Properties

Cross-validated computational properties for Ni1O3P1, aggregated across 3 databases.

Band Gap

0.13–1.49 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

20
3 databases, 13 space groups
Uses

Applications

Where Ni1O3P1 is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater-splitting research
Reference

Frequently Asked Questions

Common questions about Ni1O3P1, answered from cross-validated data.

What is Ni1O3P1?

Ni1O3P1 is a thermodynamically stable semiconducting oxide material primarily investigated for its potential as an oxygen-evolution catalyst.

More questions
What is Ni1O3P1 used for?
Ni1O3P1 is used in oxygen-evolution catalysis, electrochemical energy conversion, and water-splitting research.
What is the band gap of Ni1O3P1?
Ni1O3P1 has a DFT-computed band gap of 0.13–1.49 eV across 20 reported structures.
Is Ni1O3P1 a metal, semiconductor, or insulator?
With a band gap up to 1.49 eV it is a semiconductor.
Is Ni1O3P1 thermodynamically stable?
Yes — Ni1O3P1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ni1O3P1 are known?
20 structures of Ni1O3P1 are reported across 3 databases, spanning 13 distinct space groups.
What elements does Ni1O3P1 contain?
Ni1O3P1 contains Ni, O, and P (3 elements).
Where does the data for Ni1O3P1 come from?
Ni1O3P1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse landscape of oxide oxygen-evolution catalysts, Ni1O3P1 distinguishes itself from traditional transition metal oxides like NiO or complex layered structures such as LiNiO2 and LaNiO3. While many class members rely on specific perovskite or spinel architectures, Ni1O3P1 offers a unique structural configuration that provides a different electronic environment, potentially enhancing catalytic activity compared to its more conventional counterparts.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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