BrO2F

BrO2F is a thermodynamically stable semiconducting compound composed of bromine, oxygen, and fluorine.

BrFO
Crystal structure of BrO2F
Ground-state structure · Materials Project
Overview

About BrO2F

Bromine dioxide fluoride is a distinct inorganic compound characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull signifies high stability, marking it as a robust candidate for specialized chemical investigations. The compound is notable for its structural diversity, with multiple reported configurations across research databases.

This material serves as an important subject for understanding halogen-oxygen-fluorine interactions. Its stability and electronic profile make it a valuable reference point for researchers exploring the synthesis and behavior of complex oxyhalides in various high-energy or reactive environments.

At a glance

Key Properties

Cross-validated computational properties for BrO2F, aggregated across 3 databases.

Band Gap

2.90 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where BrO2F is used.

Chemical researchMaterials science studiesHalogen chemistry exploration
Reference

Frequently Asked Questions

Common questions about BrO2F, answered from cross-validated data.

What is BrO2F?

BrO2F is a thermodynamically stable semiconducting compound composed of bromine, oxygen, and fluorine.

More questions
What is BrO2F used for?
BrO2F is used in chemical research, materials science studies, and halogen chemistry exploration.
What is the band gap of BrO2F?
BrO2F has a DFT-computed band gap of 2.90 eV across 5 reported structures.
Is BrO2F a metal, semiconductor, or insulator?
With a band gap up to 2.90 eV it is a semiconductor.
Is BrO2F thermodynamically stable?
Yes — BrO2F sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BrO2F are known?
5 structures of BrO2F are reported across 3 databases, spanning 2 distinct space groups.
What elements does BrO2F contain?
BrO2F contains Br, F, and O (3 elements).
Where does the data for BrO2F come from?
BrO2F data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the bromine-oxygen-fluorine system, this compound occupies a singular niche in the current literature. Unlike more common binary halides, its specific stoichiometry and stable configuration provide a baseline for evaluating the structural trends and bonding characteristics of similar interhalogen oxide species.

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

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