TiZnO2

TiZnO2 is a semiconducting mixed-metal oxide catalyst that exists in a metastable state within the spinel structural family.

Crystal structure of TiZnO2
Ground-state structure · Materials Project
Overview

About TiZnO2

TiZnO2 is a complex oxide material categorized within the spinel oxide catalyst family. As a semiconducting compound, it exhibits electronic properties that are of significant interest for researchers investigating charge transport and catalytic surface reactivity in mixed-metal systems. Despite its structural complexity, it remains a subject of investigation in materials databases.

While the compound is currently identified as being above the thermodynamic hull, its existence across multiple reported structures highlights the ongoing effort to understand metastable phases in oxide chemistry. This material serves as a model for studying the interplay between titanium and zinc cations within a spinel-like framework, providing insights into potential catalytic pathways.

At a glance

Key Properties

Cross-validated computational properties for TiZnO2, aggregated across 3 databases.

Band Gap

0.25 eV
Range across DFT structures

Energy Above Hull

0.183 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

12
3 databases, 3 space groups
Uses

Applications

Where TiZnO2 is used.

Catalysis researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about TiZnO2, answered from cross-validated data.

What is TiZnO2?

TiZnO2 is a semiconducting mixed-metal oxide catalyst that exists in a metastable state within the spinel structural family.

More questions
What is TiZnO2 used for?
TiZnO2 is used in catalysis research, materials science exploration, and semiconductor development.
What is the band gap of TiZnO2?
TiZnO2 has a DFT-computed band gap of 0.25 eV across 12 reported structures.
Is TiZnO2 a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is TiZnO2 thermodynamically stable?
TiZnO2 has a lowest energy above hull of 0.183 eV/atom (above hull).
How many polymorphs of TiZnO2 are known?
12 structures of TiZnO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does TiZnO2 contain?
TiZnO2 contains O, Ti, and Zn (3 elements).
Where does the data for TiZnO2 come from?
TiZnO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike highly stable and widely utilized spinel oxides such as MgAl2O4 or simple binary oxides like ZnO and NiO, TiZnO2 occupies a more precarious position in the thermodynamic landscape. While compounds like LaMnO3 or LaNiO3 are frequently studied for their robust perovskite-based catalytic activity, TiZnO2 represents a more challenging, less stable configuration that tests the limits of phase synthesis in the spinel class.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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