NiBr2

nickel(II) bromide · nickel dibromide

Nickel(II) bromide is a stable, semiconducting inorganic salt widely utilized as a catalyst and chemical precursor.

BrNi
Crystal structure of NiBr2
Ground-state structure · Materials Project
Overview

About nickel(II) bromide

Nickel(II) bromide is a thermodynamically stable inorganic halide that exhibits semiconducting electronic properties. Its structural versatility is evidenced by a wide variety of reported crystallographic arrangements, making it a subject of significant interest in solid-state chemistry research. The compound serves as a critical precursor in coordination chemistry and organic synthesis. Its ability to form stable complexes allows it to function effectively as a catalyst or reagent in various chemical transformations, leveraging the unique electronic characteristics of the nickel center.

At a glance

Key Properties

Cross-validated computational properties for nickel(II) bromide, aggregated across 3 databases.

Band Gap

0.76 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

30
3 databases, 10 space groups
Uses

Applications

Where nickel(II) bromide is used.

Chemical synthesisCatalysisCoordination chemistry reagent
Reference

Frequently Asked Questions

Common questions about nickel(II) bromide, answered from cross-validated data.

What is NiBr2?

Nickel(II) bromide is a stable, semiconducting inorganic salt widely utilized as a catalyst and chemical precursor.

More questions
What is NiBr2 used for?
nickel(II) bromide (NiBr2) is used in chemical synthesis, catalysis, and coordination chemistry reagent.
What is the band gap of NiBr2?
nickel(II) bromide (NiBr2) has a DFT-computed band gap of 0.76 eV across 30 reported structures.
Is NiBr2 a metal, semiconductor, or insulator?
With a band gap up to 0.76 eV it is a semiconductor.
Is NiBr2 thermodynamically stable?
Yes — nickel(II) bromide (NiBr2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NiBr2 are known?
30 structures of NiBr2 are reported across 3 databases, spanning 10 distinct space groups.
What elements does NiBr2 contain?
nickel(II) bromide (NiBr2) contains Br and Ni (2 elements).
Where does the data for NiBr2 come from?
NiBr2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable member of the nickel halide family, this compound is distinguished by its robust thermodynamic profile and its well-documented structural diversity, which facilitates its reliable performance in specialized chemical processes.

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

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