CaCo2O5

CaCo2O5 is a metastable, semiconducting cobalt oxide used primarily in the study and development of oxygen-evolution catalysts.

Crystal structure of CaCo2O5
Ground-state structure · Materials Project
Overview

About CaCo2O5

CaCo2O5 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its metastable nature makes it a subject of significant interest for researchers aiming to tune catalytic activity through structural modifications in transition metal oxides. The material's electronic properties are central to its performance in electrochemical environments, where it facilitates complex charge transfer processes. As a cobalt-based oxide, it plays a vital role in the ongoing search for efficient, earth-abundant catalysts for water splitting and energy storage applications.

At a glance

Key Properties

Cross-validated computational properties for CaCo2O5, aggregated across 3 databases.

Band Gap

0.23 eV
Range across DFT structures

Energy Above Hull

0.096 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where CaCo2O5 is used.

Oxygen-evolution catalysisWater splitting researchElectrochemical energy conversion
Reference

Frequently Asked Questions

Common questions about CaCo2O5, answered from cross-validated data.

What is CaCo2O5?

CaCo2O5 is a metastable, semiconducting cobalt oxide used primarily in the study and development of oxygen-evolution catalysts.

More questions
What is CaCo2O5 used for?
CaCo2O5 is used in oxygen-evolution catalysis, water splitting research, and electrochemical energy conversion.
What is the band gap of CaCo2O5?
CaCo2O5 has a DFT-computed band gap of 0.23 eV across 10 reported structures.
Is CaCo2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.23 eV it is a semiconductor.
Is CaCo2O5 thermodynamically stable?
CaCo2O5 has a lowest energy above hull of 0.096 eV/atom (metastable).
How many polymorphs of CaCo2O5 are known?
10 structures of CaCo2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CaCo2O5 contain?
CaCo2O5 contains Ca, Co, and O (3 elements).
Where does the data for CaCo2O5 come from?
CaCo2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the broader family of oxygen-evolution catalysts, CaCo2O5 occupies a niche position compared to more widely utilized materials like LiCoO2 or LiMn2O4. While compounds such as LiCoO2 are staples in commercial battery technology, CaCo2O5 is distinguished by its metastable phase, which offers unique catalytic pathways that differ from the more thermodynamically stable perovskite-like structures found in LaMnO3 or LaNiO3.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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