PtSe2
Platinum diselenide · PtSe2
Platinum diselenide is a stable, semiconducting material used in advanced electronics and catalytic research.
About Platinum diselenide
Platinum diselenide is a semiconducting transition metal dichalcogenide that sits firmly on the thermodynamic convex hull, indicating high structural stability. Its unique electronic properties make it a subject of significant interest for researchers exploring the next generation of thin-film electronic and optoelectronic devices.
As a member of the platinum-group alloy catalyst class, this compound is primarily investigated for its potential in surface-catalyzed reactions and sensing applications. Its robust nature and well-defined structural characteristics allow it to serve as a reliable platform for studying charge transport and light-matter interactions at the nanoscale.
Key Properties
Cross-validated computational properties for Platinum diselenide, aggregated across 5 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 PtSe2. 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 PtSe2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.61 | 0.0000 | -27.168 | 8.42 |
| — | — | 0.27 | 0.0000 | -0.388 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -0.397 | — |
| — | — | 0.00 | 0.0037 | -0.385 | — |
| — | — | 0.00 | 0.0055 | -0.383 | — |
| — | — | 0.83 | 0.0059 | -0.382 | — |
| — | — | 0.00 | 0.0162 | -0.372 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0173 | -0.380 | — |
| — | — | 0.00 | 0.1093 | -0.279 | — |
| — | — | 0.00 | 0.1455 | -0.243 | — |
| — | — | 0.00 | 0.1724 | -0.216 | — |
| — | — | 0.00 | 0.1830 | -0.205 | — |
Applications
Where Platinum diselenide is used.
Patent Landscape
1 patent reference PtSe2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11605743 | Photodetector based on PtSe2 and silicon nanopillar array and preparation method thereof | — | — |
Frequently Asked Questions
Common questions about Platinum diselenide, answered from cross-validated data.
What is PtSe2?
Platinum diselenide is a stable, semiconducting material used in advanced electronics and catalytic research.
What is PtSe2 used for?
What is the band gap of PtSe2?
Is PtSe2 a metal, semiconductor, or insulator?
Is PtSe2 thermodynamically stable?
What is the crystal structure of PtSe2?
What is the density of PtSe2?
How many polymorphs of PtSe2 are known?
What elements does PtSe2 contain?
Where does the data for PtSe2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike metallic members of the platinum-group alloy class such as LaRh or Ga2Ru, platinum diselenide is distinguished by its semiconducting electronic character, which allows for greater control in transistor-based applications. It shares a chalcogenide-based structural motif with IrSe2, yet its specific platinum-based stoichiometry provides a distinct balance of chemical stability and catalytic activity that sets it apart from other binary pnictides or alloys in the group.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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