AlIO

AlIO is a metastable, semiconducting spinel oxide used in research for its potential catalytic properties.

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

About AlIO

AlIO is a semiconducting compound classified within the spinel oxide family. As a metastable material, it represents a specialized phase that offers distinct electronic pathways for catalytic processes, distinguishing it from more common, highly stable oxide structures.

Its significance lies in its potential for tuning surface reactivity in chemical transformations. By leveraging its semiconducting nature, researchers investigate this compound to better understand how metastable oxides can facilitate specific catalytic reactions in demanding industrial environments.

At a glance

Key Properties

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

Band Gap

1.66 eV
Range across DFT structures

Energy Above Hull

0.058 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where AlIO is used.

Catalytic researchSemiconductor materials developmentChemical synthesis optimization
Reference

Frequently Asked Questions

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

What is AlIO?

AlIO is a metastable, semiconducting spinel oxide used in research for its potential catalytic properties.

More questions
What is AlIO used for?
AlIO is used in catalytic research, semiconductor materials development, and chemical synthesis optimization.
What is the band gap of AlIO?
AlIO has a DFT-computed band gap of 1.66 eV across 5 reported structures.
Is AlIO a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is AlIO thermodynamically stable?
AlIO has a lowest energy above hull of 0.058 eV/atom (metastable).
How many polymorphs of AlIO are known?
5 structures of AlIO are reported across 3 databases, spanning 3 distinct space groups.
What elements does AlIO contain?
AlIO contains Al, I, and O (3 elements).
Where does the data for AlIO come from?
AlIO data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized MgAl2O4 or the robust binary oxides like ZnO and NiO, AlIO occupies a more precarious thermodynamic position. While perovskite-type catalysts such as LaMnO3 are frequently optimized for redox stability, AlIO provides a unique, less-explored structural alternative that may offer different active site geometries for specialized catalytic applications.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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