Nb₂O₄F₂ is a mixed-valence niobium oxide fluoride semiconductor compound, representing an emerging material class that combines transition metal oxides with fluorine incorporation. This compound is primarily investigated in research settings for photocatalytic applications and as a potential functional material in electronic or optoelectronic devices, where the fluorine dopant modifies electronic structure and band gap characteristics compared to undoped niobium oxides. The material belongs to a family of metal oxide fluorides gaining interest for environmental remediation and next-generation semiconductor applications where tuning defect chemistry and charge carrier dynamics is critical.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 31.19 | GPa | — | ||
Shear Modulus(G) | 47.57 | GPa | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.796 | eV | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -2.778 | eV/atom | — |