TaAgO3 is an experimental ternary oxide semiconductor compound combining tantalum, silver, and oxygen. While not yet commercialized at scale, this material belongs to the family of mixed-metal oxides being investigated for optoelectronic and photocatalytic applications where the combination of noble metal (silver) and refractory metal (tantalum) oxides may enable enhanced charge separation or catalytic activity. Research on such compounds typically targets scenarios where conventional binary oxides (like TiO2 or Ta2O5) fall short in efficiency, though practical deployment remains limited to specialized laboratory and pilot-scale demonstrations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 212.7 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 103.3 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 8.815 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.609 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · GLLB-SC | ||
| ↳ | 1.855 | eV | DFT · OptB88vdW | ||
| ↳ | 2.414 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.761 | - | DFT · OptB88vdW | ||
| ↳ | 4.882 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4700 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.497 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.2299 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00392 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00124 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -273.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 439.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 14.31 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03170 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -2.019 | eV/atom | DFT | ||
| ↳ | 1.480 | eV/atom | DFT | ||
| ↳ | -2.165 | 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