Titanium disulfide (TiS2) is a layered transition metal dichalcogenide semiconductor composed of titanium and sulfur atoms arranged in a hexagonal crystal structure. The material is primarily investigated in research contexts for energy storage and intercalation chemistry applications, where its layered structure enables efficient ion insertion and extraction. TiS2 is notable as a cathode material candidate for lithium-ion and sodium-ion batteries, and also shows promise in supercapacitors and electrochemical sensing, where its two-dimensional character and tunable electronic properties offer advantages over conventional layered oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 18.36 | GPa | DFT | ||
| ↳ | 47.87 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 89.57 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 14.01 | GPa | DFT | ||
| ↳ | 34.62 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.224 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.950 | eV | Measured | ||
| ↳ | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.06500 | eV | DFT · TBmBJ | ||
| ↳ | 0.5100 | eV | DFT · HSE06 | ||
Dielectric Constant (Relative Permittivity)(εr) | 173.2 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 20.42 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000324 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000678 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 4.120 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 59.68 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00710 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -1.420 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -1.406 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data