Thorium selenide (ThSe2) is a ceramic compound belonging to the transition metal dichalcogenide family, composed of thorium and selenium in a layered crystal structure. This material is primarily of research and development interest rather than established industrial production, investigated for potential applications in nuclear fuel systems, radiation-resistant coatings, and advanced electronic or photonic devices that exploit the unique electronic properties of layered dichalcogenides. ThSe2 is notable within actinide chemistry as a candidate material where thorium's nuclear characteristics and selenium's semiconducting behavior can be combined for specialized high-performance applications in extreme environments.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 85.16 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 32.43 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 8.364 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.7020 | eV | DFT · OptB88vdW | ||
| ↳ | 1.148 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.98 | - | DFT · OptB88vdW | ||
| ↳ | 10.10 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9200 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000982 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00182 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -159.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 242 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.83 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.835 | 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