PdSe₆Br₂ is an experimental mixed-halide palladium selenide ceramic compound that combines metallic and chalcogenide elements in an unusual stoichiometry. This material belongs to the family of transition metal halide-selenides, which are primarily of research interest for their potential electronic and photonic properties rather than established industrial applications. The compound's notable feature is its structural complexity and potential utility in semiconductor research, photocatalysis, or solid-state chemistry applications where tuned bandgaps and unusual crystal structures are valuable.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,405.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,881.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1820 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.8070 | eV | DFT · OptB88vdW | ||
| ↳ | 1.261 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 13.90 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.80 | - | DFT · OptB88vdW | ||
| ↳ | 8.796 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 2.087 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.563 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00216 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00119 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -325.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 236.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.26 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00950 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1270 | 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