PbO2
lead dioxide · lead(IV) oxide, plattnerite
Lead dioxide is a stable, semiconducting inorganic compound primarily used as the active material in the positive electrodes of lead-acid batteries.
About lead dioxide
Lead dioxide is a thermodynamically stable oxide that exhibits semiconducting electronic behavior. Its robust structural integrity is evidenced by the extensive number of reported crystal structures, making it a highly characterized material in inorganic chemistry. The compound is widely recognized for its high oxidation state and its critical role in electrochemical systems. It serves as the primary active material on the positive plates of lead-acid batteries, facilitating the chemical reactions necessary for energy storage and discharge. Its ability to undergo reversible redox processes underpins its enduring utility in industrial power applications.
Key Properties
Cross-validated computational properties for lead 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 PbO2. 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 PbO2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 0.03 | 0.0000 | -0.947 | — |
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0000 | -5.836 | 9.34 |
| — | — | 0.00 | 0.0000 | -1.121 | — |
| Pbcn (No. 60) | orthorhombic | 0.00 | 0.0015 | -5.834 | 9.62 |
| — | — | 0.00 | 0.0031 | -1.118 | — |
| P42/mnm (No. 136) | tetragonal | 0.01 | 0.0036 | -0.943 | — |
| — | — | 0.00 | 0.0064 | -1.115 | — |
| — | — | 0.22 | 0.0099 | -1.111 | — |
| — | — | 0.00 | 0.0136 | -1.107 | — |
| — | — | 0.44 | 0.0138 | -1.107 | — |
| — | — | 0.22 | 0.0468 | -1.074 | — |
| — | — | 0.00 | 0.0530 | -1.068 | — |
Applications
Where lead dioxide is used.
Patent Landscape
1 patent reference PbO2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 3959453 | Method for manufacture of single crystals .beta.-PbO.sub.2 and slender single crystals of .beta.-PbO.sub.2 pro | — | — |
Frequently Asked Questions
Common questions about lead dioxide, answered from cross-validated data.
What is PbO2?
Lead dioxide is a stable, semiconducting inorganic compound primarily used as the active material in the positive electrodes of lead-acid batteries.
What is PbO2 used for?
What is the band gap of PbO2?
Is PbO2 a metal, semiconductor, or insulator?
Is PbO2 thermodynamically stable?
What is the crystal structure of PbO2?
What is the density of PbO2?
How many polymorphs of PbO2 are known?
What elements does PbO2 contain?
Where does the data for PbO2 come from?
How It Compares
As a prominent and well-studied oxide, lead dioxide stands as a foundational material in its category, serving as the benchmark for high-performance electrochemical storage applications due to its exceptional structural stability and reliable semiconducting characteristics.
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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