CoHO
Cobalt hydroxide oxide · CoO(OH)
CoHO is a semiconducting cobalt-based oxide catalyst primarily used to facilitate oxygen-evolution reactions in electrochemical systems.
About Cobalt hydroxide oxide
CoHO is a semiconducting oxide that functions as a key material in the field of oxygen-evolution catalysts. Its metastable nature makes it a subject of significant interest for researchers aiming to optimize catalytic activity in electrochemical processes.
This compound is primarily utilized in energy conversion technologies where efficient oxygen production is required. Its unique electronic structure allows it to participate effectively in surface-mediated reactions, making it a valuable candidate for advanced electrochemical cell development.
Key Properties
Cross-validated computational properties for Cobalt hydroxide oxide, aggregated across 3 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 CoHO. 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 CoHO, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.33 | 0.0363 | -6.004 | 4.90 |
| P-3m1 (No. 164) | trigonal | 2.36 | 0.0367 | -6.004 | 4.93 |
| P-3m1 (No. 164) | trigonal | 2.39 | 0.0370 | -6.004 | 4.95 |
| C2/m (No. 12) | monoclinic | 2.24 | 0.0382 | -6.002 | 4.81 |
| C2/m (No. 12) | monoclinic | 2.27 | 0.0442 | -5.996 | 4.76 |
| C2 (No. 5) | monoclinic | 2.52 | 0.0442 | -5.996 | 4.74 |
| C2 (No. 5) | monoclinic | 2.44 | 0.0504 | -5.990 | 4.92 |
| P1 (No. 1) | triclinic | 2.38 | 0.0714 | -5.969 | 4.75 |
| P3m1 (No. 156) | trigonal | 2.29 | 0.2481 | -5.793 | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.36 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.29 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.41 |
Applications
Where Cobalt hydroxide oxide is used.
Frequently Asked Questions
Common questions about Cobalt hydroxide oxide, answered from cross-validated data.
What is CoHO?
CoHO is a semiconducting cobalt-based oxide catalyst primarily used to facilitate oxygen-evolution reactions in electrochemical systems.
What is CoHO used for?
What is the band gap of CoHO?
Is CoHO a metal, semiconductor, or insulator?
Is CoHO thermodynamically stable?
What is the crystal structure of CoHO?
What is the density of CoHO?
How many polymorphs of CoHO are known?
What elements does CoHO contain?
Where does the data for CoHO come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxide oxygen-evolution catalysts, CoHO occupies a distinct role compared to more traditional, highly stable battery cathode materials like LiCoO2 or LiMn2O4. While those lithium-based oxides are optimized for reversible ion intercalation, CoHO is specifically valued for its catalytic surface properties, positioning it closer in functional utility to electrocatalytic perovskites like LaMnO3 or LaNiO3.
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).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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