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Small Multilayer Molecule for High Efficiency Solar Cells

Hole transport or extraction layer for NFA-polymer solar cells and p-i-n perovskite solar cells, MeO-PhpPACz, CAS No. 3046309-17-2


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A fully aromatic carbazole-based self-assembled monolayer (SAM) serving as a hole-selective layer (HSL) in highly efficient inverted wide-band gap perovskite solar cells (PSCs). Featuring a methoxy substituted carbazolyl terminal, a rigid phenyl linker, and a phosphonic acid anchor, the rigid phenyl linker not only extends the conjugation of the carbazole terminal, but also promotes the formation of a dense and highly ordered HSL on substrates.

With extended conjugation and ordered packing, MeO-PhPACz facilitates perovskite interfacial interactions and the growth of uniform perovskite films. The high-quality SAM film formed at the interface effectively improves the hole extraction/transport efficiency by suppressing interfacial non-radiative recombination. MeO-PhPACz also demonstrates heightened UV absorption capabilities and inherent UV resistance, substantially enhancing PSC thermal stability and resistance to UV light illumination.

A mixed SAM of MeO-PhPACz and Me-4PACz enhances the binding energies with indium tin oxide (ITO) for improved hole transport efficiency. Inverted wide bandgap PSCs based on the mixed self-assembled monolayer exhibit superior photostability and thermal stability, maintaining 90% of their initial efficiency after 900 h of damp-heat testing and showing minimal decay after 1,000 h under 1 sun light soaking. A monolithic perovskite/silicon solar cell based on the mixed-self-assembled-monolayer of Me-4PACz and MeO-PhPACz demonstrates a remarkable efficiency of 28.07% with great reproducibility.

Serving as hole selective contact for organic solar cells and perovskite solar cells, MeO-PhPACz 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 3046309-17-2
Chemical Formula C20H18NO5P
Molecular Weight 383.33 g/mol
Absorption* λmax 379 nm (in DMF)
Fluorescence λem (n.a.)
HOMO/LUMO HOMO = -5.61 eV, LUMO = -2.41 eV
Synonyms MeO-PhpPACz, (4-(3,6-Dimethoxy-9H-carbazol-9-yl)phenyl)phosphonic acid, OMe-PhpPACz
Classification or Family 7H-Dibenzo[c,g]carbazole derivatives, Self-assembly monolayers, Hole transport layer, Hole extraction layer, p-i-n Perovskite solar cells, Organic photovoltaics

Product Details


Purity > 98% (HPLC)
Melting Point N/A
Appearance White to off-white powder

Solution Processing Procedure


Typical processing solvents: Methanol, ethanol
Typical concentration: 2.0 mg/ml
Typical processing procedure: MeO-PhPACz solution in ethanol is deposited onto the centre of the substrate surface and spin-coated for 30 s at the speed of 3000 rpm, followed by annealing for 30 min at 100 ℃ (DOI: 10.1002/anie.202315281).

Chemical Structure


MeO-PhPACz chemical structure
MeO-PhPACz chemical structure, CAS No. 3046309-17-2

MSDS Documentation


MeO-PhPACz MSDS SheetMeO-PhPACz MSDS Sheet

Literature and Reviews


  1. C. Li et al. (2024); Fully Aromatic Self-Assembled Hole-Selective Layer toward Efficient Inverted Wide-Bandgap Perovskite Solar Cells with Ultraviolet Resistance, Angew. Chem. Int. Ed., 63 (1), e202315281; DOI: 10.1002/anie.202315281.
  2. C. Li et al. (2024); Enhancing Efficiency of Industrially-Compatible Monolithic Perovskite/Silicon Tandem Solar Cells with Dually-Mixed Self-Assembled Monolayers, Adv. Funct. Mater., 34 (46), 2407805; DOI: 10.1002/adfm.202407805.

Licensed by Helmholtz-Zentrum Berlin für Materialien und Energie GmbH in Germany and Kaunas University of Technology in Lithuania.


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