Fe2Hf2O6

Fe2Hf2O6 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical applications.

Crystal structure of Fe2Hf2O6
Ground-state structure · Materials Project
Overview

About Fe2Hf2O6

Fe2Hf2O6 is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its metastable nature suggests a complex synthesis landscape, which is reflected in the multiple structures reported for this specific stoichiometry across major materials databases.

This compound serves as a specialized candidate for electrochemical research, where its electronic properties are leveraged to facilitate oxygen-evolution reactions. By incorporating hafnium into an iron-oxide framework, it provides an alternative structural motif for catalytic surface activity.

At a glance

Key Properties

Cross-validated computational properties for Fe2Hf2O6, aggregated across 3 databases.

Band Gap

2.36–2.91 eV
Range across DFT structures

Energy Above Hull

0.063 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 5 space groups
Uses

Applications

Where Fe2Hf2O6 is used.

Oxygen-evolution catalysisElectrochemical research
Reference

Frequently Asked Questions

Common questions about Fe2Hf2O6, answered from cross-validated data.

What is Fe2Hf2O6?

Fe2Hf2O6 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical applications.

More questions
What is Fe2Hf2O6 used for?
Fe2Hf2O6 is used in oxygen-evolution catalysis and electrochemical research.
What is the band gap of Fe2Hf2O6?
Fe2Hf2O6 has a DFT-computed band gap of 2.36–2.91 eV across 13 reported structures.
Is Fe2Hf2O6 a metal, semiconductor, or insulator?
With a band gap up to 2.91 eV it is a semiconductor.
Is Fe2Hf2O6 thermodynamically stable?
Fe2Hf2O6 has a lowest energy above hull of 0.063 eV/atom (metastable).
How many polymorphs of Fe2Hf2O6 are known?
13 structures of Fe2Hf2O6 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Fe2Hf2O6 contain?
Fe2Hf2O6 contains Fe, Hf, and O (3 elements).
Where does the data for Fe2Hf2O6 come from?
Fe2Hf2O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized transition metal oxides such as NiO or the layered lithium-based cathodes like LiCoO2 and LiNiO2, Fe2Hf2O6 occupies a more niche, metastable position within the broader family of oxygen-evolution catalysts. While perovskite-structured members like LaMnO3 and BiFeO3 are frequently studied for their robust catalytic performance, Fe2Hf2O6 offers a distinct elemental combination that broadens the structural diversity available for testing in electrochemical systems.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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