NaO2

sodium superoxide · sodium hyperoxide

Sodium superoxide is a stable, semiconducting inorganic compound consisting of sodium and oxygen that is widely studied for its role in chemical and electrochemical processes.

NaO
Crystal structure of NaO2
Ground-state structure · Materials Project
Overview

About sodium superoxide

Sodium superoxide is a semiconducting inorganic compound composed of sodium and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a well-defined chemical state that has been extensively characterized across multiple structural databases.

Its significance lies in its role as a reactive oxygen species, which is critical in various chemical synthesis pathways and energy storage research. The compound's stability and electronic properties make it a subject of interest for those studying alkali metal oxides and their potential applications in advanced electrochemical systems.

At a glance

Key Properties

Cross-validated computational properties for sodium superoxide, aggregated across 4 databases.

Band Gap

0.48 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

142
4 databases, 21 space groups
Uses

Applications

Where sodium superoxide is used.

Chemical synthesisEnergy storage researchOxygen generation systems
Reference

Frequently Asked Questions

Common questions about sodium superoxide, answered from cross-validated data.

What is NaO2?

Sodium superoxide is a stable, semiconducting inorganic compound consisting of sodium and oxygen that is widely studied for its role in chemical and electrochemical processes.

More questions
What is NaO2 used for?
sodium superoxide (NaO2) is used in chemical synthesis, energy storage research, and oxygen generation systems.
What is the band gap of NaO2?
sodium superoxide (NaO2) has a DFT-computed band gap of 0.48 eV across 142 reported structures.
Is NaO2 a metal, semiconductor, or insulator?
With a band gap up to 0.48 eV it is a semiconductor.
Is NaO2 thermodynamically stable?
Yes — sodium superoxide (NaO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaO2 are known?
142 structures of NaO2 are reported across 4 databases, spanning 21 distinct space groups.
What elements does NaO2 contain?
sodium superoxide (NaO2) contains Na and O (2 elements).
Where does the data for NaO2 come from?
NaO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary alkali metal superoxide, this compound serves as a fundamental reference point for understanding the behavior of oxygen-rich ionic solids. It occupies a unique position in the landscape of sodium-oxygen chemistry, providing essential insights into the stability and electronic nature of superoxide-based materials.

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

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