ZnO2
Zinc peroxide · Zinc dioxide
Zinc peroxide is an inorganic compound that acts as a mild antiseptic and oxidizing agent. It is primarily utilized in medical and industrial settings for its ability to release oxygen in controlled environments.
Overview
Key Properties
Cross-validated computational properties for Zinc peroxide, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
1.27–2.16 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.135 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
255
4 databases, 37 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnO2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 2.16 | 0.1355 | -4.777 | 5.31 |
| P212121 (No. 19) | orthorhombic | 1.27 | 0.1678 | -4.745 | 5.15 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.4592 | -4.453 | 4.69 |
| P21 (No. 4) | monoclinic | 0.00 | 0.4605 | -4.452 | 4.79 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.4669 | -4.446 | 4.99 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.8112 | -4.101 | 3.80 |
| Pa-3 (No. 205) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.15 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.57 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.40 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.08 |
Uses
Applications
Where Zinc peroxide is used.
Antiseptic skin treatmentsRubber vulcanization acceleratorOxidizing agent in chemical synthesisComponent in pyrotechnic compositions
Reference
Frequently Asked Questions
Common questions about Zinc peroxide, answered from cross-validated data.
What is ZnO2?
Zinc peroxide is an inorganic compound that acts as a mild antiseptic and oxidizing agent. It is primarily utilized in medical and industrial settings for its ability to release oxygen in controlled environments.
More questions
What is ZnO2 used for?
Zinc peroxide (ZnO2) is used in antiseptic skin treatments, rubber vulcanization accelerator, oxidizing agent in chemical synthesis, and component in pyrotechnic compositions.
What is the band gap of ZnO2?
Zinc peroxide (ZnO2) has a DFT-computed band gap of 1.27–2.16 eV across 255 reported structures.
Is ZnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.16 eV it is a semiconductor.
Is ZnO2 thermodynamically stable?
Zinc peroxide (ZnO2) has a lowest energy above hull of 0.135 eV/atom (above hull).
What is the crystal structure of ZnO2?
The lowest-energy reported polymorph of Zinc peroxide (ZnO2) is cubic symmetry, space group Pa-3 (No. 205).
What is the density of ZnO2?
The computed density of the ground-state structure of Zinc peroxide (ZnO2) is 5.31 g/cm³.
How many polymorphs of ZnO2 are known?
255 structures of ZnO2 are reported across 4 databases, spanning 37 distinct space groups.
What elements does ZnO2 contain?
Zinc peroxide (ZnO2) contains O and Zn (2 elements).
Where does the data for ZnO2 come from?
ZnO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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