KNbS2 is a ternary metal chalcogenide compound containing potassium, niobium, and sulfur, belonging to the layered transition metal dichalcogenide family. This material is primarily of research interest for its electronic and electrochemical properties rather than established industrial production. KNbS2 and related compounds show promise in energy storage applications (batteries, supercapacitors) and catalysis due to their layered crystal structure and tunable electronic properties, though engineering deployment remains largely experimental compared to mature alternatives like graphite or commercial niobium compounds.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 10,932.9 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 6,983.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1445 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.8880 | eV | DFT · OptB88vdW | ||
| ↳ | 1.276 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 14.13 | - | DFT · OptB88vdW | ||
| ↳ | 12.25 | - | DFT · PBE | ||
| ↳ | 11.42 range 10.66–12.18median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.56 | - | DFT · OptB88vdW | ||
| ↳ | 10.55 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.8867 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.4767 | 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 | 0.00325 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000903 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -325.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 138.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.24 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.325 | 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