CoBiO4

CoBiO4 is a metastable semiconducting oxide utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical applications.

Crystal structure of CoBiO4 (orthorhombic, Imma (No. 74))
Ground-state structure · Materials Project
Overview

About CoBiO4

CoBiO4 is a semiconducting oxide that functions as a specialized catalyst for the oxygen-evolution reaction. Its electronic structure and chemical composition make it a subject of interest for researchers investigating efficient water-splitting technologies and electrochemical energy conversion systems. As a metastable phase, it represents a unique structural configuration within the broader family of bismuth-cobalt oxides. Its potential utility is driven by the interplay between its transition metal centers and the surrounding oxygen lattice, which facilitates the charge transfer processes necessary for catalytic activity.

At a glance

Key Properties

Cross-validated computational properties for CoBiO4, aggregated across 3 databases.

Band Gap

0.51 eV
Range across DFT structures

Energy Above Hull

0.051 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for CoBiO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Imma (No. 74)orthorhombic0.510.0507-6.3556.63
Imma (No. 74)
Imma (No. 74)Orthorhombic7.06
Imma (No. 74)Orthorhombic6.63
Imma (No. 74)Orthorhombic6.81
Uses

Applications

Where CoBiO4 is used.

Oxygen-evolution catalysisElectrochemical water splittingElectrocatalytic research
Reference

Frequently Asked Questions

Common questions about CoBiO4, answered from cross-validated data.

What is CoBiO4?

CoBiO4 is a metastable semiconducting oxide utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical applications.

More questions
What is CoBiO4 used for?
CoBiO4 is used in oxygen-evolution catalysis, electrochemical water splitting, and electrocatalytic research.
What is the band gap of CoBiO4?
CoBiO4 has a DFT-computed band gap of 0.51 eV across 5 reported structures.
Is CoBiO4 a metal, semiconductor, or insulator?
With a band gap up to 0.51 eV it is a semiconductor.
Is CoBiO4 thermodynamically stable?
CoBiO4 has a lowest energy above hull of 0.051 eV/atom (metastable).
What is the crystal structure of CoBiO4?
The lowest-energy reported polymorph of CoBiO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of CoBiO4?
The computed density of the ground-state structure of CoBiO4 is 6.63 g/cm³.
How many polymorphs of CoBiO4 are known?
5 structures of CoBiO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does CoBiO4 contain?
CoBiO4 contains Bi, Co, and O (3 elements).
Where does the data for CoBiO4 come from?
CoBiO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse group of oxygen-evolution catalysts, CoBiO4 occupies a distinct niche compared to more conventional materials like NiO or LiCoO2. While many members of this class, such as the layered perovskite La2NiO4 or the spinel LiMn2O4, are characterized by their robust thermodynamic stability and well-understood intercalation properties, CoBiO4 offers a different structural landscape that challenges traditional design paradigms in electrocatalysis.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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