KTiO2F is a titanium-based fluoride compound belonging to the class of mixed-metal oxyfluoride semiconductors. This material combines titanium oxide chemistry with fluorine substitution, a structural modification that can alter electronic band structure and optical properties compared to conventional titanium oxides. KTiO2F remains primarily in the research and development phase, with potential applications in photocatalysis, optoelectronics, and ion-conducting devices where fluorine doping is known to enhance charge carrier mobility and tailor band gaps for specific wavelengths.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 21,162.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14,293.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1335 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 3.200 | eV | DFT · GLLB-SC | ||
| ↳ | 0.8970 | eV | DFT · OptB88vdW | ||
| ↳ | 1.572 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.933 | - | DFT · OptB88vdW | ||
| ↳ | 4.739 | - | DFT · TBmBJ | ||
Magnetic Moment(μB)2 entries | -4.682e-15 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.29 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.08430 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | 0.1800 | eV/atom | DFT | ||
| ↳ | -3.044 | 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