BaCu₂O₂ is a mixed-valence ceramic compound combining barium and copper oxides, belonging to the family of complex metal oxides with potential electrochemical and structural applications. This material is primarily of research interest rather than established industrial production, investigated for its electronic properties and potential use in energy storage systems, catalysis, and oxygen-conducting ceramics. Engineers would consider this compound in specialized applications where copper-barium oxide interactions provide advantages in high-temperature stability, ionic conductivity, or catalytic activity that conventional single-phase ceramics cannot match.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 75.63 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 24.50 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.800 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.525 | eV | DFT · OptB88vdW | ||
| ↳ | 1.627 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.973 | - | DFT · OptB88vdW | ||
| ↳ | 5.286 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4933 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.820 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000756 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00117 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -104.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 388.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 30.45 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.513 | 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