Mo2SeS3 is a mixed transition metal chalcogenide compound combining molybdenum with selenium and sulfur, belonging to the family of layered dichalcogenide-derived materials. This is primarily a research-phase material studied for its electronic and catalytic properties rather than a production engineering material. The compound is of interest in emerging applications where its unique layered structure and semiconducting character could enable catalytic conversion, energy storage, or optoelectronic functions, though practical engineering use remains limited to specialized laboratory and pilot-scale investigations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 67.29 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 45.65 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.353 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.7940 | eV | DFT · OptB88vdW | ||
| ↳ | 0.8760 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 16.52 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 13.42 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.03348 | C/m² | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 28.67 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00750 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8815 | 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