BaPaO3 is a barium palladium oxide compound belonging to the perovskite family of ceramic semiconductors. This material is primarily of research and development interest rather than established in widespread industrial production, with potential applications in electrochemistry, catalysis, and solid-state electronics where its ionic conductivity and catalytic properties under specific conditions may be exploited. Engineers would consider this compound for emerging technologies in fuel cells, gas sensors, or catalytic converters where palladium-based oxide ceramics offer advantages in thermal stability and chemical reactivity compared to conventional semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 17,342.2 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.4700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,347.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2753 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.695 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 4.539 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 41.43 | - | DFT · TBmBJ | ||
Magnetic Moment(μB)2 entries | 0.2000 | μB | DFT | ||
| ↳ | 0.9460 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00290 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00266 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -95.67 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -94.52 | 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) | 0.02800 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -3.153 | eV/atom | DFT | ||
| ↳ | -3.410 | 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