CoHO2
Cobalt oxyhydroxide · Cobalt(III) oxyhydroxide
CoHO2 is a stable semiconducting cobalt oxyhydroxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
About Cobalt oxyhydroxide
CoHO2 is a thermodynamically stable semiconducting material that serves as a critical component in the field of oxide oxygen-evolution catalysts. Its structural integrity and electronic properties make it a subject of significant interest for researchers aiming to improve the efficiency of electrochemical water splitting processes.
As a highly studied member of the cobalt-based oxide family, this compound is valued for its ability to facilitate complex surface reactions. Its presence on the convex hull underscores its robustness, positioning it as a reliable candidate for long-term use in demanding catalytic environments where stability is paramount.
Key Properties
Cross-validated computational properties for Cobalt oxyhydroxide, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CoHO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CoHO2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.10 | 0.0000 | -6.408 | 5.04 |
| — | — | 2.08 | 0.0000 | -1.249 | — |
| R3m (No. 160) | trigonal | 0.74 | 0.0000 | -1.145 | — |
| P-1 (No. 2) | triclinic | 0.77 | 0.0005 | -1.145 | — |
| P21/c (No. 14) | monoclinic | 0.70 | 0.0015 | -1.144 | — |
| R-3m (No. 166) | trigonal | 0.78 | 0.0039 | -1.141 | — |
| R-3m (No. 166) | trigonal | 0.76 | 0.0057 | -1.140 | — |
| — | — | 2.22 | 0.0123 | -1.237 | — |
| — | — | 2.04 | 0.0126 | -1.237 | — |
| R-3m (No. 166) | trigonal | 0.82 | 0.0133 | -1.132 | — |
| P63/mmc (No. 194) | hexagonal | 0.79 | 0.0150 | -1.130 | — |
| — | — | 1.50 | 0.0428 | -1.207 | — |
Applications
Where Cobalt oxyhydroxide is used.
Frequently Asked Questions
Common questions about Cobalt oxyhydroxide, answered from cross-validated data.
What is CoHO2?
CoHO2 is a stable semiconducting cobalt oxyhydroxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
What is CoHO2 used for?
What is the band gap of CoHO2?
Is CoHO2 a metal, semiconductor, or insulator?
Is CoHO2 thermodynamically stable?
What is the crystal structure of CoHO2?
What is the density of CoHO2?
How many polymorphs of CoHO2 are known?
What elements does CoHO2 contain?
Where does the data for CoHO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, CoHO2 serves as a distinct alternative to transition metal oxides like NiO or complex layered structures such as LiCoO2. While materials like LaMnO3 or BiFeO3 are often explored for their magnetic and multiferroic properties, CoHO2 is specifically optimized for its catalytic activity in aqueous environments, providing a more focused functionality than the multipurpose lithium-intercalation oxides.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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