TiCrO4

TiCrO4 is a metastable semiconducting spinel oxide used in research for its potential catalytic properties.

Crystal structure of TiCrO4
Ground-state structure · Materials Project
Overview

About TiCrO4

TiCrO4 is a complex oxide belonging to the spinel family, characterized by its semiconducting electronic structure. As a metastable material, it represents a unique phase that offers distinct catalytic pathways compared to more stable, conventional oxides.

The material is primarily investigated for its role in catalytic reactions where its specific electronic configuration can influence surface reactivity. Its existence across multiple reported structural configurations highlights its versatility in materials research and potential for specialized industrial applications.

At a glance

Key Properties

Cross-validated computational properties for TiCrO4, aggregated across 3 databases.

Band Gap

0.57 eV
Range across DFT structures

Energy Above Hull

0.075 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TiCrO4.

Solid State
Procedure available · ceder_solid_state
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where TiCrO4 is used.

CatalysisMaterials science research
Reference

Frequently Asked Questions

Common questions about TiCrO4, answered from cross-validated data.

What is TiCrO4?

TiCrO4 is a metastable semiconducting spinel oxide used in research for its potential catalytic properties.

More questions
What is TiCrO4 used for?
TiCrO4 is used in catalysis and materials science research.
What is the band gap of TiCrO4?
TiCrO4 has a DFT-computed band gap of 0.57 eV across 10 reported structures.
Is TiCrO4 a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is TiCrO4 thermodynamically stable?
TiCrO4 has a lowest energy above hull of 0.075 eV/atom (metastable).
How many polymorphs of TiCrO4 are known?
10 structures of TiCrO4 are reported across 3 databases, spanning 2 distinct space groups.
How is TiCrO4 synthesized?
Literature-reported routes for TiCrO4 include solid state, sol gel (4 procedures documented).
What elements does TiCrO4 contain?
TiCrO4 contains Cr, O, and Ti (3 elements).
Where does the data for TiCrO4 come from?
TiCrO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely used MgAl2O4 spinel, TiCrO4 exists in a metastable state that provides a different landscape for catalytic activity. While oxides like NiO or ZnO are frequently employed for their robust semiconducting properties, TiCrO4 offers a more complex structural environment that researchers explore to achieve specific selectivity in chemical transformations.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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