Zr₂N₂Cl₂ is a layered mixed-anion zirconium compound combining nitride and chloride chemistry, representing an emerging class of ternary semiconductor materials. This compound is primarily of research interest for next-generation electronics and energy storage applications, where the dual-anion architecture may enable tunable band gaps and unique electronic properties distinct from conventional binary nitrides or single-anion systems. The material family shows potential for photocatalysis, optoelectronics, and advanced functional ceramics, though industrial-scale production and commercial deployment remain limited.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 67.24 | GPa | DFT · OptB88vdW | ||
Shear Modulus(G) | 31.77 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.770 | eV | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -1.984 | 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