LiNbSe₂ is a ternary metal compound combining lithium, niobium, and selenium, belonging to the class of layered transition metal dichalcogenides. This material is primarily of research interest rather than established in mainstream industrial production, with potential applications in energy storage, photocatalysis, and electronic devices where its layered crystal structure and mixed-metal composition offer unique electronic properties. Engineers would consider LiNbSe₂ for emerging technologies in battery electrodes, catalytic systems, or optoelectronic devices where the combination of lithium's high charge capacity and niobium-selenium's semiconducting characteristics may provide advantages over conventional materials.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,668.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | -401.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2108 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.6720 | eV | DFT · OptB88vdW | ||
| ↳ | 0.8320 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 18.25 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 14.43 | - | DFT · OptB88vdW | ||
| ↳ | 13.91 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5533 | 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 | 0.00341 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000953 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -267.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 154.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 26.92 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.123 | 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