NaNbS2 is a layered metal sulfide compound combining sodium and niobium in a 2D crystal structure, belonging to the transition metal dichalcogenide (TMD) family. This material is primarily investigated in research contexts for energy storage and electrochemical applications, where its layered geometry and mixed-metal composition offer potential advantages in ion intercalation and electron transport compared to single-element alternatives. Engineers may consider NaNbS2-based materials for next-generation battery anodes and supercapacitor electrodes, though industrial deployment remains limited and the material is most relevant to exploratory projects in advanced energy systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 80.59 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 52.13 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.129 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.7480 | eV | DFT · OptB88vdW | ||
| ↳ | 1.150 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 15.10 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.11 | - | DFT · OptB88vdW | ||
| ↳ | 11.04 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6600 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.6133 | 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 | 0.00374 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000957 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -274.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 157.3 | 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) | -1.340 | 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