NbOF₂ is a niobium-based oxylfluoride ceramic compound that combines metallic and nonmetallic elements to achieve unique electrochemical and structural properties. This material is primarily of research interest for advanced applications in solid-state ionics, particularly as an electrolyte or electrode material in next-generation batteries and electrochemical devices, where fluoride ion conductivity and chemical stability are critical. Compared to conventional ceramic electrolytes, niobium oxyfluorides offer potential advantages in operating temperature windows and ionic transport characteristics, making them candidates for solid-state battery development and fuel cell applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 123.1 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 59.44 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.317 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.000 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.9970 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00357 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00359 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 60.05 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 57.24 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1021 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.736 | 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