Class Statistics
What are Spinel Oxide Catalysts?
Spinel oxide catalysts represent a versatile class of mixed-metal oxides defined by the general formula AB2O4, where A and B represent cations occupying distinct tetrahedral and octahedral sites within a cubic close-packed oxygen lattice. This structural arrangement allows for significant chemical flexibility, as various transition metals can be substituted into the lattice to tune electronic properties. The primary significance of these materials lies in their mixed-valence cation sites, which facilitate efficient oxygen redox chemistry, making them essential components in electrochemical energy conversion systems. By enabling rapid electron transfer and oxygen adsorption-desorption processes, spinel oxides serve as high-performance, cost-effective alternatives to precious metal catalysts in air electrodes for metal-air batteries and oxygen evolution reactions in water electrolysis. Notable members of this family include cobalt-based spinels like Co3O4, which is widely studied for its intrinsic catalytic activity, and nickel-cobalt spinels such as NiCo2O4, which are frequently employed for their enhanced electrical conductivity and synergistic catalytic effects. Because they can be synthesized through various scalable methods, including hydrothermal, sol-gel, and combustion techniques, spinel oxides are central to the development of sustainable energy technologies. Their ability to maintain structural stability while providing abundant active sites for electrochemical reactions ensures their continued relevance in the transition toward renewable energy storage and hydrogen production infrastructures.
Top Spinel Oxide Catalysts
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| CuO | 0.02 eV | 0.0000 | On hull (stable) | 3 | 34 |
| NiO | 2.30 eV | 0.0000 | On hull (stable) | 2 | 22 |
| ZnO | 0.45–1.28 eV | 0.0000 | On hull (stable) | 2 | 23 |
| MgAl2O4 | 2.71–5.11 eV | 0.0000 | On hull (stable) | 2 | 43 |
| Al2O3 | 0.05–5.85 eV | 0.0000 | On hull (stable) | 2 | 26 |
| LaNiO3 | 0.36 eV | 0.0000 | On hull (stable) | 3 | 38 |
| LaMnO3 | 0.07–1.69 eV | 0.1255 | Above hull | 2 | 52 |
| LaAlO3 | 3.49–4.61 eV | 0.0000 | On hull (stable) | 2 | 22 |
| BiFeO3 | 0.13–1.78 eV | 0.0016 | Near hull (likely stable) | 1 | 146 |
| La2NiO4 | 2.16 eV | 0.0482 | Metastable | 2 | 32 |
| LaFeO3 | 0.85–1.95 eV | 0.0000 | On hull (stable) | 2 | 68 |
| LaCoO3 | 0.44–1.10 eV | 0.0000 | On hull (stable) | 2 | 50 |
| SrAl2O4 | 3.90–4.14 eV | 0.0000 | On hull (stable) | 2 | 35 |
| YAlO3 | 3.50–5.54 eV | 0.0188 | Near hull (likely stable) | 2 | 17 |
| MgFe2O4 | Metallic / not reported | — | Not assessed | 1 | 23 |
| ZnFe2O4 | Metallic / not reported | — | Not assessed | 1 | 38 |
| ZnGa2O4 | Metallic / not reported | — | Not assessed | 1 | 20 |
| YMnO3 | 0.04–0.41 eV | 0.0000 | On hull (stable) | 2 | 11 |
| Fe2O3 | 0.12–1.69 eV | 0.0000 | On hull (stable) | 3 | 7 |
| LaCrO3 | 1.90–2.37 eV | 0.0000 | On hull (stable) | 2 | 10 |
| YFeO3 | 0.64–1.56 eV | 0.0087 | Near hull (likely stable) | 2 | 10 |
| Nd2NiO4 | 0.67–1.31 eV | 0.0703 | Metastable | 2 | 10 |
| BaAl2O4 | 3.93–4.10 eV | 0.0000 | On hull (stable) | 1 | 10 |
| CaFe2O4 | Metallic / not reported | — | Not assessed | 3 | 11 |
| La2CuO4 | 0.06 eV | 0.0000 | On hull (stable) | 2 | 8 |
| BaFeO3 | Metallic / not reported | 0.0000 | On hull (stable) | 4 | 7 |
| SmFeO3 | 0.13–1.54 eV | 0.0000 | On hull (stable) | 1 | 8 |
| ZnCr2O4 | 0.89–2.39 eV | 0.0000 | On hull (stable) | 2 | 6 |
| MgMn2O4 | 0.08–1.20 eV | 0.0000 | On hull (stable) | 3 | 4 |
| Ca2Fe2O5 | 0.48–1.10 eV | 0.0000 | On hull (stable) | 2 | 4 |
| CaAl2O4 | 4.19–4.98 eV | 0.0007 | On hull (stable) | 2 | 5 |
| MnO2 | 0.54–1.94 eV | 0.0000 | On hull (stable) | 3 | 2 |
| YCrO3 | 1.40–2.48 eV | 0.0000 | On hull (stable) | 2 | 5 |
| BaMnO3 | 0.75–2.09 eV | 0.0000 | On hull (stable) | 2 | 3 |
| AlFeO3 | 0.67–2.18 eV | 0.0326 | Metastable | 3 | 2 |
| SrMnO3 | 0.90 eV | 0.0000 | On hull (stable) | 2 | 4 |
| CaMn2O4 | 0.03–2.01 eV | 0.0000 | On hull (stable) | 2 | 2 |
| Fe3O4 | 0.02–1.21 eV | 0.0131 | Near hull (likely stable) | 3 | 1 |
| Mn2O3 | 0.07–0.35 eV | 0.0000 | On hull (stable) | 3 | 1 |
| Co3O4 | Metallic / not reported | 0.0000 | On hull (stable) | 4 | 4 |
| Bi2Fe4O9 | 1.24–2.03 eV | 0.0117 | Near hull (likely stable) | 1 | 5 |
| SrAl12O19 | 4.46 eV | 0.0023 | Near hull (likely stable) | 1 | 5 |
| CaMnO3 | 0.47 eV | 0.0351 | Metastable | 2 | 2 |
| AlO3 | 2.32 eV | 0.3860 | Above hull | 3 | 0 |
| CoO | 0.22–0.71 eV | 0.0000 | On hull (stable) | 2 | 1 |
| CoO2 | 0.01–1.25 eV | 0.0000 | On hull (stable) | 3 | 0 |
| CrO2 | 0.01–1.06 eV | 0.0000 | On hull (stable) | 3 | 0 |
| CrO3 | 1.33–2.34 eV | 0.0462 | Metastable | 3 | 0 |
| FeO | 0.05–2.09 eV | 0.0000 | On hull (stable) | 3 | 0 |
| NiO2 | 0.02–1.81 eV | 0.1266 | Above hull | 3 | 0 |
Frequently Asked Questions
How many spinel oxide catalysts are in the database?
8,866 spinel oxide catalysts are tracked, of which 1,237 have multi-source DFT validation and 138 have documented synthesis routes.
What is the most data-rich spinel oxide catalyst?
Which spinel oxide catalyst has the widest band gap?
What makes the spinel structure effective for catalysis?
Why are spinel oxides considered cost-effective compared to other catalysts?
How does substituting different metals into the spinel lattice affect performance?
In which practical applications are spinel oxide catalysts most commonly used?
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