Chromium oxyfluoride (CrOF₃) is an inorganic ceramic compound combining chromium, oxygen, and fluorine—a mixed-anion system that imparts unique electrochemical and structural properties distinct from simple oxides or fluorides. This material is primarily investigated in research contexts for energy storage applications, particularly as a cathode material in fluoride-ion batteries and advanced electrochemical systems, where the fluoride component enables higher voltage operation and the chromium redox activity provides charge capacity. Compared to conventional lithium-ion cathodes, CrOF₃-family materials offer potential for higher energy density and alternative ion-transport mechanisms, making them relevant for next-generation battery development where cobalt-free and high-performance alternatives are sought.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1258 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9540 | eV | DFT · OptB88vdW | ||
| ↳ | 27.50 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 8.467 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 9.733 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 4.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.4408 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000232 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000100 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -340.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 442.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.284 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data