TiSnO3 is a ternary oxide semiconductor compound combining titanium, tin, and oxygen, belonging to the mixed-metal oxide ceramic family. This material is primarily of research interest for photocatalytic and optoelectronic applications, where its semiconductor bandgap and crystal structure offer potential advantages in environmental remediation and energy conversion. While not yet widely deployed in high-volume industrial production, TiSnO3 is investigated as a candidate material for visible-light photocatalysts, gas sensors, and thin-film electronic devices where the combined properties of titanium and tin oxides can be leveraged.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 182.5 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 35.87 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 91.50 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.821 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.275 | eV | DFT · OptB88vdW | ||
| ↳ | 1.930 | eV | DFT · TBmBJ | ||
| ↳ | 1.051 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · GLLB-SC | ||
Dielectric Constant (Relative Permittivity)(εr) | 33.89 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.500 | - | DFT · OptB88vdW | ||
| ↳ | 4.757 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 2.270 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5333 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -1.695 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00141 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000823 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -399.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 132.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 24.51 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1254 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -2.316 | eV/atom | DFT | ||
| ↳ | 1.240 | eV/atom | DFT | ||
| ↳ | -2.408 | 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