TiS₃ is a layered transition metal trichalcogenide semiconductor composed of titanium and sulfur in a 1:3 stoichiometry. This material is primarily of research interest rather than established industrial use, with potential applications in two-dimensional electronics and optoelectronics due to its layer-dependent properties and ability to be exfoliated into thin sheets. Engineers investigating TiS₃ are typically exploring it as an alternative to graphene and transition metal dichalcogenides (TMDs) for next-generation semiconductor devices where the material's unique electronic structure and mechanical compliance could enable flexible electronics, photovoltaic absorbers, or field-effect transistors.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 2,741.5 | ksi | DFT | ||
| ↳ | 6,767.5 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 54.49 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 1,663.8 | ksi | DFT | ||
| ↳ | 4,346.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1148 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.9000 | eV | Measured | ||
| ↳ | 0.3060 | eV | DFT · OptB88vdW | ||
| ↳ | 3.371 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 30.21 | - | DFT · OptB88vdW | ||
| ↳ | 14.62 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 13.48 | - | DFT · OptB88vdW | ||
| ↳ | 4.084 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.09000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.09333 | 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 | 0.00127 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00148 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -201.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 248.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 1.880 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.096 | 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