VCl2O is an experimental vanadium oxychloride ceramic compound that belongs to the family of transition metal oxyhalides. This layered ceramic material is primarily of research interest for its potential in energy storage and catalytic applications, where the combination of vanadium redox chemistry and layered crystal structure offers advantages in ion transport and surface reactivity compared to conventional oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 38.83 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 35.81 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 26.06 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.047 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.3460 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 11.55 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 2.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.705 | 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