Bi2OF4 is an oxyfluoride ceramic compound containing bismuth, oxygen, and fluorine elements, belonging to the broader family of functional ceramic materials. This material is primarily investigated in research contexts for photocatalytic and optoelectronic applications, where its layered crystal structure and band gap properties make it a candidate for environmental remediation (pollutant degradation under light) and potential energy conversion devices. Compared to conventional photocatalysts like TiO2, bismuth-based oxyfluorides offer advantages in visible-light activity and tunable electronic properties, making them of interest for sustainable technology development.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 92.89 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 30.85 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 8.181 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.185 | eV | DFT · OptB88vdW | ||
| ↳ | 5.574 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.263 | - | DFT · OptB88vdW | ||
| ↳ | 3.167 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00203 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000774 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -348.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 389.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01930 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.326 | 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