Ti2FeO5

Ti2FeO5 is a stable, semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.

Crystal structure of Ti2FeO5
Ground-state structure · Materials Project
Overview

About Ti2FeO5

Ti2FeO5 is a thermodynamically stable oxide that functions as a semiconductor. Its position on the convex hull highlights its robust structural integrity, making it a reliable candidate for research into oxygen-evolution reaction catalysts. The material has been identified in multiple structural configurations across various databases, underscoring its significance in materials science. It is primarily investigated for its potential to facilitate electrochemical processes where efficient oxygen production is required. By leveraging its semiconducting electronic character, researchers aim to optimize its performance in catalytic environments, contributing to the broader development of sustainable energy technologies.

At a glance

Key Properties

Cross-validated computational properties for Ti2FeO5, aggregated across 3 databases.

Band Gap

1.06–1.65 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 3 space groups
Uses

Applications

Where Ti2FeO5 is used.

Oxygen-evolution catalysisElectrochemical researchEnergy conversion systems
Reference

Frequently Asked Questions

Common questions about Ti2FeO5, answered from cross-validated data.

What is Ti2FeO5?

Ti2FeO5 is a stable, semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.

More questions
What is Ti2FeO5 used for?
Ti2FeO5 is used in oxygen-evolution catalysis, electrochemical research, and energy conversion systems.
What is the band gap of Ti2FeO5?
Ti2FeO5 has a DFT-computed band gap of 1.06–1.65 eV across 7 reported structures.
Is Ti2FeO5 a metal, semiconductor, or insulator?
With a band gap up to 1.65 eV it is a semiconductor.
Is Ti2FeO5 thermodynamically stable?
Yes — Ti2FeO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ti2FeO5 are known?
7 structures of Ti2FeO5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ti2FeO5 contain?
Ti2FeO5 contains Fe, O, and Ti (3 elements).
Where does the data for Ti2FeO5 come from?
Ti2FeO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the class of oxide oxygen-evolution catalysts, Ti2FeO5 offers a distinct chemical composition compared to transition metal-rich oxides like NiO or complex perovskites such as BiFeO3 and LaMnO3. While many members of this class rely on high-valence transition metal centers to drive catalytic activity, Ti2FeO5 utilizes a unique titanium-iron framework that provides a stable alternative for electrochemical applications.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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