NaVO2F2 is an inorganic ceramic compound containing sodium, vanadium, oxygen, and fluorine elements. This material belongs to the family of vanadium-based oxyfluorides, which are primarily of research and developmental interest for energy storage and electrochemical applications. The fluorine-containing vanadium oxide structure makes it a candidate for cathode materials in advanced lithium-ion and sodium-ion battery systems, where the mixed-valence vanadium centers and fluorine substitution can enhance ionic conductivity and structural stability during charge-discharge cycling.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 7,440.4 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,947.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1114 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.125 | eV | DFT · OptB88vdW | ||
| ↳ | 2.698 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 26.93 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.382 | - | DFT · OptB88vdW | ||
| ↳ | 3.676 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.2622 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00147 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00205 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -386.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 354.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 8.900 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.739 | 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