KTiS₂ is a layered transition metal dichalcogenide compound combining potassium, titanium, and sulfur, belonging to the MX₂ family of materials that exhibit unique electronic and structural properties. This material is primarily of research interest for energy storage applications (lithium-ion and sodium-ion batteries), catalysis, and potentially optoelectronic devices, where its layered crystal structure enables ion intercalation and tunable electronic behavior. While not yet widely commercialized, KTiS₂ represents an emerging class of materials being investigated as alternatives to graphite and other layered compounds for next-generation battery anodes and electrocatalytic applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 58.54 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 40.47 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.019 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 1.240 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 13.24 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.8220 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000421 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000495 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -9.217 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -8.817 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.42 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02020 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.514 | 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