NiPO4

NiPO4 is a semiconducting nickel phosphate oxide investigated for its potential role in electrochemical oxygen-evolution catalysis.

Crystal structure of NiPO4
Ground-state structure · Materials Project
Overview

About NiPO4

NiPO4 is a semiconducting oxide that functions within the broader class of oxygen-evolution catalysts. Its composition of nickel, phosphorus, and oxygen positions it as a specialized material for electrochemical processes where efficient oxygen production is required. Although it exhibits a complex structural landscape with numerous reported configurations, its thermodynamic profile suggests it exists in a metastable state relative to other phases. This instability is a critical factor in its synthesis and performance, as researchers look to leverage its electronic properties for catalytic surface reactions. The compound is of interest to materials scientists investigating alternative, non-precious metal catalysts for water splitting and energy conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for NiPO4, aggregated across 3 databases.

Band Gap

0.86–1.37 eV
Range across DFT structures

Energy Above Hull

0.109 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

22
3 databases, 8 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting NiPO4.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where NiPO4 is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater splitting research
Reference

Frequently Asked Questions

Common questions about NiPO4, answered from cross-validated data.

What is NiPO4?

NiPO4 is a semiconducting nickel phosphate oxide investigated for its potential role in electrochemical oxygen-evolution catalysis.

More questions
What is NiPO4 used for?
NiPO4 is used in oxygen-evolution catalysis, electrochemical energy conversion, and water splitting research.
What is the band gap of NiPO4?
NiPO4 has a DFT-computed band gap of 0.86–1.37 eV across 22 reported structures.
Is NiPO4 a metal, semiconductor, or insulator?
With a band gap up to 1.37 eV it is a semiconductor.
Is NiPO4 thermodynamically stable?
NiPO4 has a lowest energy above hull of 0.109 eV/atom (above hull).
How many polymorphs of NiPO4 are known?
22 structures of NiPO4 are reported across 3 databases, spanning 8 distinct space groups.
How is NiPO4 synthesized?
Literature-reported routes for NiPO4 include solid state (8 procedures documented).
What elements does NiPO4 contain?
NiPO4 contains Ni, O, and P (3 elements).
Where does the data for NiPO4 come from?
NiPO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike highly stable and widely utilized oxides such as NiO or the layered lithium-intercalation compounds like LiCoO2 and LiNiO2, NiPO4 occupies a more challenging position due to its thermodynamic instability above the hull. While materials like LaNiO3 and LaMnO3 are frequently employed for their robust perovskite structures in catalytic applications, NiPO4 represents a more niche, structurally diverse alternative that requires careful synthesis control to maintain its functional semiconducting state.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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