TiFeO4

TiFeO4 is a semiconducting transition metal oxide researched for its potential role in electrochemical oxygen-evolution reactions.

Crystal structure of TiFeO4
Ground-state structure · Materials Project
Overview

About TiFeO4

TiFeO4 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. Its electronic structure is a key area of study for researchers aiming to optimize charge transfer processes during electrochemical water splitting.

Despite its status as a thermodynamically unstable phase situated above the hull, the compound remains a subject of significant interest in materials science. With multiple reported structures across various databases, it serves as a valuable case study for understanding the synthesis and stability of complex transition metal oxides.

At a glance

Key Properties

Cross-validated computational properties for TiFeO4, aggregated across 3 databases.

Band Gap

0.08–0.47 eV
Range across DFT structures

Energy Above Hull

0.108 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

16
3 databases, 6 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TiFeO4.

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

Applications

Where TiFeO4 is used.

Oxygen-evolution catalysisElectrochemical water splitting research
Reference

Frequently Asked Questions

Common questions about TiFeO4, answered from cross-validated data.

What is TiFeO4?

TiFeO4 is a semiconducting transition metal oxide researched for its potential role in electrochemical oxygen-evolution reactions.

More questions
What is TiFeO4 used for?
TiFeO4 is used in oxygen-evolution catalysis and electrochemical water splitting research.
What is the band gap of TiFeO4?
TiFeO4 has a DFT-computed band gap of 0.08–0.47 eV across 16 reported structures.
Is TiFeO4 a metal, semiconductor, or insulator?
With a band gap up to 0.47 eV it is a semiconductor.
Is TiFeO4 thermodynamically stable?
TiFeO4 has a lowest energy above hull of 0.108 eV/atom (above hull).
How many polymorphs of TiFeO4 are known?
16 structures of TiFeO4 are reported across 3 databases, spanning 6 distinct space groups.
How is TiFeO4 synthesized?
Literature-reported routes for TiFeO4 include sol gel, solid state (6 procedures documented).
What elements does TiFeO4 contain?
TiFeO4 contains Fe, O, and Ti (3 elements).
Where does the data for TiFeO4 come from?
TiFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse landscape of oxygen-evolution catalysts, TiFeO4 occupies a unique position compared to more stable, widely utilized materials like LiCoO2 or BiFeO3. While many of its class members are characterized by high thermodynamic stability and well-defined electrochemical performance, TiFeO4 represents a more challenging, metastable system that requires careful synthetic control to stabilize its crystalline framework.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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