PhPAPy
CAS Number 1520028-95-8
Self-Assembled Monolayers (SAMs), Latest Products, Perovskite Interface Materials, Charge Transport Layer Materials,
Self-Assembled Monolayer (SAM) Molecule for High Efficiency Perovskite Solar Cells
Hole transport layer for p-i-n perovskite solar cells, hole selection layer (HSL), PhPAPy, (4-(Pyren-1-yl)phenyl)phosphonic acid, CAS No. 1520028-95-8
Overview | Product Information | MSDS | Literature | Related Products | Technical Support
PhPAPy is a self-assembled monolayer material featuring a rigid aromatic ring structure with a pyrene terminal, a phenyl linker and a phosphonic anchor. Sandwiched between the substrate and the perovskite active layer, PhPAPy monolayer serves as the hole selection layer (HSL) for high efficiency inverted perovskite solar cells. The rigidity presented by the pyrene terminal hinders rotational freedom thus creates a near-vertical molecular orientation on the substrate. Also, the planar pyrene structure and the near-vertical molecular orientation enhance π–π interactions between the pyrene rings, giving an orderly and densely packed self-assembled monolayer. This uniform film geometry effectively enhances the interfacial properties, minimizes the direct contact between the active layer and the substrate, and reduces buried interface defects for efficient hole extraction to improve both efficiency and stability.
As a result, inverted PSCs based on PhPAPy as the HSL demonstrate a maximum reverse-scanning power conversion efficiency (PCE) of 26.74% and a certified stabilized power output efficiency of 26.12%. Moreover, 95% of their initial efficiency is retained after 2000 h of maximum power point tracking under continuous AM 1.5G illumination at 65 °C and ambient humidity (ISOS-L-2).
PhPAPy has the same terminal group as Py3, another pyrene based self-assembled monolayer material for high-efficiency PSCs.
Serving as hole selective contact for organic solar cells and perovskite solar cells, PhPAPy is an alternative to PEDOT:PSS with superior performance and the convenience of solution deposition at low concentration, i.e. 1 mM.
General Information
| CAS Number | 1520028-95-8 |
|---|---|
| Chemical Formula | C22H15O3P |
| Molecular Weight | 358.33 g/mol |
| Absorption* | λmax (n.a.) |
| Fluorescence | λem (n.a.) |
| HOMO/LUMO | The valence band (VB) of FTO/PhPAPy is -5.43 eV |
| Synonyms | (4-(Pyren-1-yl)phenyl)phosphonic acid |
| Classification or Family | Pyrene derivatives, Self-assembly monolayers, Hole transport layer, Hole selection layer, p-i-n Perovskite solar cells |
Product Details
| Purity | > 98% (HPLC) |
|---|---|
| Melting Point | 360 °C (decomposition) |
| Appearance | Off-white powder/crystals |
Solution Processing Procedure
Typical processing solvents: Methanol, ethanol. IPA, DMF
Typical suggested concentration: 1.0 mg/ml or 1.0 mM
Typical processing procedure: PhPAPy is dissolved in a mixed solvent of IPA and DMF (3:1 v/v) at a concentration of 1.0 mg/ml. The solution is then spin-coated onto a clean and ultraviolet-treated ITO or FTO substrate surface for 30 seconds at 4,000 rpm, followed by annealing for 10 min at 100 ℃. The coated substrate is then rinsed with ethanol via spin-coating for 20 seconds at 5,000 rpm, and annealed for 5 min at 100 ℃ (from perovskite solar cell fabrication, DOI: 10.1002/anie.202505876).
Chemical Structure
MSDS Documentation
PhPAPy MSDS SheetLiterature and Reviews
- Y. Feng et al. (2025), Homogenized Self-Assembled Molecules for Inverted Perovskite Solar Cells, Angew. Chem. Int. Ed., 64, e202505876; DOI: 10.1002/anie.202505876.
- A. Ullah et al. (2026), Self-Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery, Adv. Mater., e20220; DOI: 10.1002/adma.202520220.
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