SiBr3

SiBr3 is an insulating silicon-bromine compound that serves as a potential candidate for specialized silicon anode applications.

Crystal structure of SiBr3
Ground-state structure · Materials Project
Overview

About SiBr3

SiBr3 is a silicon-based compound characterized by its wide-band-gap insulating electronic structure. Its position near the thermodynamic hull suggests it is a viable candidate for synthesis and further experimental investigation within materials science laboratories.

As a member of the silicon anode material class, it represents an intriguing structural alternative to traditional silicon-based electrodes. Its insulating nature and unique stoichiometry make it a subject of interest for researchers looking to tune the electrochemical properties of next-generation energy storage systems.

At a glance

Key Properties

Cross-validated computational properties for SiBr3, aggregated across 3 databases.

Band Gap

3.84 eV
Range across DFT structures

Energy Above Hull

0.004 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

12
3 databases, 5 space groups
Uses

Applications

Where SiBr3 is used.

Battery anode researchSemiconductor materials development
Reference

Frequently Asked Questions

Common questions about SiBr3, answered from cross-validated data.

What is SiBr3?

SiBr3 is an insulating silicon-bromine compound that serves as a potential candidate for specialized silicon anode applications.

More questions
What is SiBr3 used for?
SiBr3 is used in battery anode research and semiconductor materials development.
What is the band gap of SiBr3?
SiBr3 has a DFT-computed band gap of 3.84 eV across 12 reported structures.
Is SiBr3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.84 eV it is an insulator / wide-band-gap material.
Is SiBr3 thermodynamically stable?
SiBr3 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
How many polymorphs of SiBr3 are known?
12 structures of SiBr3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does SiBr3 contain?
SiBr3 contains Br and Si (2 elements).
Where does the data for SiBr3 come from?
SiBr3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the silicon anode materials class.

While elemental Si remains the industry standard for silicon-based anodes, SiBr3 offers a distinct chemical environment compared to metallic silicides like FeSi or Mg2Si. Unlike the well-characterized MoSi2 or BaSi2, SiBr3 provides a different structural framework that may influence ion transport and mechanical stability during electrochemical cycling.

Explore

Related Compounds

Other Silicon Anode Materials in the database.

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

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