MoW₂Se₂S₄ is a mixed-metal dichalcogenide compound combining molybdenum, tungsten, selenium, and sulfur in a layered crystal structure. This material belongs to the family of transition metal dichalcogenides (TMDs), which are primarily investigated in research contexts for their unique electronic and catalytic properties rather than established commercial production. The compound is of interest for catalytic applications—particularly hydrogen evolution and electrocatalysis—where the combination of multiple transition metals and chalcogen atoms can create active sites with tunable electronic properties, offering potential advantages over single-metal dichalcogenide alternatives in electrochemical energy conversion systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 68.64 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 47.61 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.176 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.6540 | eV | DFT · OptB88vdW | ||
| ↳ | 1.331 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 15.41 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 13.80 | - | DFT · OptB88vdW | ||
| ↳ | 12.28 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1347 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00000245 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00111 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -561.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 319.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.95 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1113 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8089 | 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