NiSeO4

NiSeO4 is a stable, semiconducting nickel selenate compound utilized in the study of oxygen-evolution catalysis for energy applications.

Crystal structure of NiSeO4
Ground-state structure · Materials Project
Overview

About NiSeO4

NiSeO4 is a thermodynamically stable nickel selenate that functions as a semiconducting material within the broader family of oxide-based oxygen-evolution catalysts. Its structural integrity and electronic properties make it a subject of interest for researchers investigating efficient water-splitting reactions and electrochemical energy conversion systems. The compound is characterized by a high degree of structural diversity, with multiple reported configurations across various databases, highlighting its complex coordination environment. This versatility allows it to serve as a platform for studying catalytic activity in oxygen-evolving processes, where its stable nature provides a reliable framework for testing surface reactivity. By leveraging its semiconducting character, NiSeO4 contributes to the ongoing development of transition metal-based catalysts aimed at improving the efficiency of sustainable hydrogen production technologies.

At a glance

Key Properties

Cross-validated computational properties for NiSeO4, aggregated across 3 databases.

Band Gap

2.17 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Uses

Applications

Where NiSeO4 is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater-splitting research
Reference

Frequently Asked Questions

Common questions about NiSeO4, answered from cross-validated data.

What is NiSeO4?

NiSeO4 is a stable, semiconducting nickel selenate compound utilized in the study of oxygen-evolution catalysis for energy applications.

More questions
What is NiSeO4 used for?
NiSeO4 is used in oxygen-evolution catalysis, electrochemical energy conversion, and water-splitting research.
What is the band gap of NiSeO4?
NiSeO4 has a DFT-computed band gap of 2.17 eV across 8 reported structures.
Is NiSeO4 a metal, semiconductor, or insulator?
With a band gap up to 2.17 eV it is a semiconductor.
Is NiSeO4 thermodynamically stable?
Yes — NiSeO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NiSeO4 are known?
8 structures of NiSeO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NiSeO4 contain?
NiSeO4 contains Ni, O, and Se (3 elements).
Where does the data for NiSeO4 come from?
NiSeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the well-established binary oxide NiO or the layered lithium-intercalation compounds like LiCoO2 and LiNiO2, NiSeO4 introduces the selenate anion into the catalytic framework. While perovskite-structured members such as LaNiO3 and LaMnO3 are widely recognized for their robust performance in oxygen-evolution reactions, NiSeO4 offers a distinct chemical environment that differentiates it from the simpler transition metal oxides and complex perovskites like BiFeO3 or La2NiO4.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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