KNaH₂ is an experimental ionic hydride ceramic composed of potassium, sodium, and hydrogen atoms, representing an emerging class of materials in solid-state chemistry research. This compound belongs to the family of metal hydrides and mixed-alkali hydrides, which are being investigated for energy storage, hydrogen sorption, and solid-state ionic conductor applications. While not yet established in mainstream industrial production, materials in this family show promise for next-generation energy storage systems and hydrogen economy technologies due to their potential for reversible hydrogen uptake and ionic conductivity at moderate temperatures.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 18.21 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.49 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.434 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.111 | eV | DFT · OptB88vdW | ||
| ↳ | 5.574 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 111.6 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 2.945 | - | DFT · OptB88vdW | ||
| ↳ | 2.012 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6233 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.673 | 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 | 0.00207 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00113 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -206.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 314.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05580 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2574 | 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