ScFeO3

ScFeO3 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis for electrochemical applications.

Crystal structure of ScFeO3
Ground-state structure · Materials Project
Overview

About ScFeO3

ScFeO3 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. Its electronic structure and metastable nature make it a subject of interest for researchers seeking to tune catalytic activity through structural modifications. The compound exists in multiple reported configurations, highlighting its versatility in solid-state chemistry. As a transition metal oxide, it plays a role in the ongoing development of materials for electrochemical energy conversion. Its ability to facilitate oxygen-evolution reactions is a key area of study, particularly as scientists look for alternatives to more common, highly reactive metal oxides.

At a glance

Key Properties

Cross-validated computational properties for ScFeO3, aggregated across 3 databases.

Band Gap

0.92–1.71 eV
Range across DFT structures

Energy Above Hull

0.058 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 4 space groups
Uses

Applications

Where ScFeO3 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about ScFeO3, answered from cross-validated data.

What is ScFeO3?

ScFeO3 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis for electrochemical applications.

More questions
What is ScFeO3 used for?
ScFeO3 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of ScFeO3?
ScFeO3 has a DFT-computed band gap of 0.92–1.71 eV across 15 reported structures.
Is ScFeO3 a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is ScFeO3 thermodynamically stable?
ScFeO3 has a lowest energy above hull of 0.058 eV/atom (metastable).
How many polymorphs of ScFeO3 are known?
15 structures of ScFeO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does ScFeO3 contain?
ScFeO3 contains Fe, O, and Sc (3 elements).
Where does the data for ScFeO3 come from?
ScFeO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

While materials like NiO and LiCoO2 are established benchmarks in the field of oxygen-evolution catalysts, ScFeO3 represents a more specialized, metastable alternative. Unlike the highly stable and widely utilized LaMnO3 or BiFeO3, ScFeO3 offers a unique electronic profile that distinguishes it from the more conventional perovskite-based oxides in this class.

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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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