BaO2

Barium peroxide · Barium dioxide

Barium peroxide is a stable, semiconducting inorganic compound primarily used as an oxygen source in chemical synthesis and pyrotechnic applications.

BaO
Crystal structure of BaO2
Ground-state structure · Materials Project
Overview

About Barium peroxide

Barium peroxide is a thermodynamically stable inorganic compound that exists as a semiconducting solid. It is characterized by its ability to release oxygen under specific conditions, making it a valuable chemical reagent in various industrial processes.

Due to its high stability and unique reactivity, this compound is frequently utilized in specialized chemical synthesis and pyrotechnic applications. Its role as an oxygen source remains a primary driver for its industrial utility and ongoing research interest.

At a glance

Key Properties

Cross-validated computational properties for Barium peroxide, aggregated across 4 databases.

Band Gap

0.27–2.69 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

88
4 databases, 17 space groups
Uses

Applications

Where Barium peroxide is used.

PyrotechnicsBleaching agentSource of hydrogen peroxideLaboratory reagent
Reference

Frequently Asked Questions

Common questions about Barium peroxide, answered from cross-validated data.

What is BaO2?

Barium peroxide is a stable, semiconducting inorganic compound primarily used as an oxygen source in chemical synthesis and pyrotechnic applications.

More questions
What is BaO2 used for?
Barium peroxide (BaO2) is used in pyrotechnics, bleaching agent, source of hydrogen peroxide, and laboratory reagent.
What is the band gap of BaO2?
Barium peroxide (BaO2) has a DFT-computed band gap of 0.27–2.69 eV across 88 reported structures.
Is BaO2 a metal, semiconductor, or insulator?
With a band gap up to 2.69 eV it is a semiconductor.
Is BaO2 thermodynamically stable?
Yes — Barium peroxide (BaO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaO2 are known?
88 structures of BaO2 are reported across 4 databases, spanning 17 distinct space groups.
What elements does BaO2 contain?
Barium peroxide (BaO2) contains Ba and O (2 elements).
Where does the data for BaO2 come from?
BaO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable peroxide, this compound serves as a critical reference point for understanding the reactivity and structural properties of alkaline earth metal peroxides. It occupies a distinct position in the class as a primary, well-documented source of reactive oxygen species.

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

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