Rb3NiO2

Rb3NiO2 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.

Crystal structure of Rb3NiO2
Ground-state structure · Materials Project
Overview

About Rb3NiO2

Rb3NiO2 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. As a metastable phase, it represents a specialized structural arrangement of nickel, oxygen, and rubidium that offers distinct electronic characteristics for catalytic research.

The material is primarily studied for its potential in electrochemical energy conversion processes. Its specific electronic profile makes it an intriguing candidate for exploring advanced catalytic mechanisms where traditional, highly stable oxides may not provide the necessary surface reactivity.

At a glance

Key Properties

Cross-validated computational properties for Rb3NiO2, aggregated across 3 databases.

Band Gap

1.27–1.34 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Rb3NiO2 is used.

Oxygen-evolution catalysis researchElectrochemical energy conversion studies
Reference

Frequently Asked Questions

Common questions about Rb3NiO2, answered from cross-validated data.

What is Rb3NiO2?

Rb3NiO2 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.

More questions
What is Rb3NiO2 used for?
Rb3NiO2 is used in oxygen-evolution catalysis research and electrochemical energy conversion studies.
What is the band gap of Rb3NiO2?
Rb3NiO2 has a DFT-computed band gap of 1.27–1.34 eV across 9 reported structures.
Is Rb3NiO2 a metal, semiconductor, or insulator?
With a band gap up to 1.34 eV it is a semiconductor.
Is Rb3NiO2 thermodynamically stable?
Rb3NiO2 has a lowest energy above hull of 0.026 eV/atom (metastable).
How many polymorphs of Rb3NiO2 are known?
9 structures of Rb3NiO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb3NiO2 contain?
Rb3NiO2 contains Ni, O, and Rb (3 elements).
Where does the data for Rb3NiO2 come from?
Rb3NiO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse group of oxygen-evolution catalysts, Rb3NiO2 occupies a unique niche compared to more conventional, highly stable materials like NiO or the layered lithium-based oxides such as LiNiO2 and LiCoO2. While many of its siblings are widely utilized for their robust thermodynamic profiles, Rb3NiO2 is distinguished by its metastable nature, offering a different pathway for investigating catalytic activity compared to the more common perovskite-structured members like LaNiO3 or LaMnO3.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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