NiClO

NiClO is a semiconducting nickel-based oxychloride that serves as an experimental material in the study of oxygen-evolution catalysts.

Overview

About NiClO

NiClO is a semiconducting oxide material primarily studied for its potential role in oxygen-evolution catalysis. As a member of this specialized class, it represents a complex coordination environment involving nickel, chlorine, and oxygen, which influences its electrochemical behavior and catalytic activity. Due to its position above the thermodynamic stability hull, this compound is considered metastable, making it a subject of interest for researchers exploring unconventional synthesis routes and stabilization techniques. Its structural complexity is highlighted by multiple reported configurations, reflecting the diverse ways these elements can arrange at the atomic scale.

At a glance

Key Properties

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

Band Gap

0.72 eV
Range across DFT structures

Energy Above Hull

0.161 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

10
3 databases, 6 space groups
Uses

Applications

Where NiClO is used.

Oxygen-evolution catalysis researchElectrochemical material studies
Reference

Frequently Asked Questions

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

What is NiClO?

NiClO is a semiconducting nickel-based oxychloride that serves as an experimental material in the study of oxygen-evolution catalysts.

More questions
What is NiClO used for?
NiClO is used in oxygen-evolution catalysis research and electrochemical material studies.
What is the band gap of NiClO?
NiClO has a DFT-computed band gap of 0.72 eV across 10 reported structures.
Is NiClO a metal, semiconductor, or insulator?
With a band gap up to 0.72 eV it is a semiconductor.
Is NiClO thermodynamically stable?
NiClO has a lowest energy above hull of 0.161 eV/atom (above hull).
How many polymorphs of NiClO are known?
10 structures of NiClO are reported across 3 databases, spanning 6 distinct space groups.
What elements does NiClO contain?
NiClO contains Cl, Ni, and O (3 elements).
Where does the data for NiClO come from?
NiClO data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized NiO or the layered lithium-based intercalation materials like LiCoO2 and LiNiO2, NiClO occupies a more precarious thermodynamic state. While perovskite-structured oxides such as LaNiO3 and LaMnO3 are often favored for their robust catalytic performance and structural integrity, NiClO offers a distinct chemical environment that challenges standard synthesis paradigms within the oxygen-evolution catalyst family.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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