NaPPdS4 is a sodium-palladium polysulfide ceramic compound, representing an emerging class of mixed-metal sulfide ceramics with potential electrochemical and structural applications. This material belongs to the family of transition metal sulfide ceramics, which are of research interest for energy storage and catalytic systems where combined ionic and electronic conductivity is advantageous. While not yet established in mainstream industrial production, compounds in this family are being investigated for next-generation battery electrodes, solid-state electrolytes, and catalytic substrates where palladium's chemical reactivity and sulfide's ionic transport properties can be leveraged.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 30.08 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.21 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.930 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.116 | eV | DFT · OptB88vdW | ||
| ↳ | 1.339 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.822 | - | DFT · OptB88vdW | ||
| ↳ | 6.181 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8367 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.923 | me | DFT · OptB88vdW · 27°C | ||
Thermoelectric Power Factor(PF)2 entries | 0.00274 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00120 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -246.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 271.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.98 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5966 | 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