PtO2
Platinum dioxide · Platinum(IV) oxide, Adams' catalyst
Platinum dioxide is a stable semiconducting compound primarily used as a highly effective catalyst in industrial and laboratory chemical synthesis.
About Platinum dioxide
Platinum dioxide is a thermodynamically stable oxide that functions as a semiconductor. It is highly regarded for its structural robustness and its critical role in facilitating complex chemical reactions, particularly in the field of heterogeneous catalysis.
Due to its ability to be easily reduced to metallic platinum, this compound serves as a vital precursor and active agent in various hydrogenation processes. Its widespread utility is reflected in the extensive structural data available for this material, highlighting its importance in modern chemical engineering.
Key Properties
Cross-validated computational properties for Platinum dioxide, aggregated across 3 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of PtO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for PtO2, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.66 | 0.0000 | -0.635 | — |
| Pnnm (No. 58) | orthorhombic | 0.60 | 0.0000 | -6.249 | 11.65 |
| — | — | 0.52 | 0.0000 | -0.741 | — |
| — | — | 0.00 | 0.0003 | -0.741 | — |
| — | — | 0.65 | 0.0014 | -0.739 | — |
| — | — | 0.00 | 0.0094 | -0.731 | — |
| — | — | 0.00 | 0.0151 | -0.726 | — |
| — | — | 1.42 | 0.0186 | -0.722 | — |
| — | — | 1.42 | 0.0276 | -0.713 | — |
| — | — | 1.31 | 0.0277 | -0.713 | — |
| — | — | 0.00 | 0.0340 | -0.707 | — |
| — | — | 0.00 | 0.0349 | -0.706 | — |
Applications
Where Platinum dioxide is used.
Frequently Asked Questions
Common questions about Platinum dioxide, answered from cross-validated data.
What is PtO2?
Platinum dioxide is a stable semiconducting compound primarily used as a highly effective catalyst in industrial and laboratory chemical synthesis.
What is PtO2 used for?
What is the band gap of PtO2?
Is PtO2 a metal, semiconductor, or insulator?
Is PtO2 thermodynamically stable?
What is the crystal structure of PtO2?
How many polymorphs of PtO2 are known?
What elements does PtO2 contain?
Where does the data for PtO2 come from?
How It Compares
As a prominent member of the platinum oxide family, this compound is recognized for its exceptional stability and ease of activation compared to other noble metal oxides. It remains a primary choice for researchers requiring a reliable and well-characterized catalyst for high-efficiency chemical synthesis.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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