TiCo3O8
TiCo3O8 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts.
About TiCo3O8
TiCo3O8 is a complex oxide featuring a semiconducting electronic structure. As a metastable material, it represents a unique phase within the broader family of transition metal oxides, offering distinct coordination environments that are of significant interest for catalytic research.
This compound is primarily studied within the context of oxygen-evolution catalysis, where its electronic properties are leveraged to facilitate efficient electrochemical reactions. Its structural complexity and metastable nature make it a compelling subject for researchers aiming to tune catalytic performance through phase engineering.
Key Properties
Cross-validated computational properties for TiCo3O8, 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.
Reported Structures
Lowest-energy structures reported for TiCo3O8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.00 | 0.0629 | -7.358 | 4.77 |
| R3m (No. 160) | trigonal | 1.33 | 0.0872 | -7.334 | 4.10 |
| R-3m (No. 166) | trigonal | 1.12 | 0.0875 | -7.334 | 4.00 |
| P1 (No. 1) | triclinic | 0.00 | 0.2247 | -7.197 | 4.41 |
| P63mc (No. 186) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.89 |
| R3m (No. 160) | Trigonal | — | — | — | 4.10 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.08 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.77 |
| R3m (No. 160) | Trigonal | — | — | — | 4.37 |
Applications
Where TiCo3O8 is used.
Frequently Asked Questions
Common questions about TiCo3O8, answered from cross-validated data.
What is TiCo3O8?
TiCo3O8 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts.
What is TiCo3O8 used for?
What is the band gap of TiCo3O8?
Is TiCo3O8 a metal, semiconductor, or insulator?
Is TiCo3O8 thermodynamically stable?
What is the crystal structure of TiCo3O8?
What is the density of TiCo3O8?
How many polymorphs of TiCo3O8 are known?
What elements does TiCo3O8 contain?
Where does the data for TiCo3O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, TiCo3O8 occupies a specialized niche compared to more conventional materials like NiO or LiCoO2. While many of its siblings, such as LaMnO3 or BiFeO3, are well-characterized perovskites or layered structures, TiCo3O8 presents a more unusual structural arrangement that differentiates it from the widely utilized lithium-based oxides like LiMn2O4 and LiNiO2.
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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