Py3

Small Self-Assembled Monolayer Molecule for High Efficiency Perovskite Solar Cells

Hole transport or extraction layer for p-i-n and large area perovskite solar cells

Py3 is a pyrene based self-assembled monolayer material with phosphonic acid head anchor and an ethyl linker. The peri-fused polyaromatic core structure, without heteroatom substitution, offers a relatively chemically inert and structurally rigid molecular contact. With extended π-conjugation and enhanced conformational rigidity, the pyrene end group demonstrates superior carrier transport and selectivity over conventional heteroatom-substituted core structures.

The rigid planar structure of py3 enhances intermolecular stacking and interfacial contact between the molecules and perovskites. This facilitates excellent hole extraction from the perovskite to the electrode contact and suppresses nonradiative carrier recombination. These unique chemical and electronic properties of the self-assembled monolayer film of Py3 considerably improves the performance of perovskite solar cells in terms of both efficiency and durability.

Champion p-i-n perovskite solar cells based on self-assembled monolayer Py3 as hole-selective interlayer achieved a power conversion efficiency (PCE) of 26.1% while retained over 99% of its initial PCE after over 600 h under an elevated temperature of 55 ℃ with a linear extrapolation to a T₉₀ of 7,462 h.

Py3 works well for both small and large area devices. Serving as hole selective contact for organic solar cells and perovskite solar cells, Py3 is an alternative to PEDOT:PSS with superior performance and the convenience of solution deposition at low concentration, i.e. 1 mM.

Solution Processing Procedure

Typical processing solvents: Ethanol, methanol, THF, DMF
Typical concentration: 1 mM - 1.0 mg/ml
Typical processing procedure: Py3 - 1 mg/ml in mixed solvents of ethanol and DMF (3:1 v/v) solution is deposited onto the centre of the substrate surface and spin-coated for 10 s at the speed of 1000 rpm and then 40 s at 3000 rpm. The film is then annealed at 125 °C for 20 min. (DOI: 10.1016/j.matt.2024.11.014).

General Information

Product Details

Chemical Structure

MSDS Documentation

Py3 MSDS Sheet

Literature and Reviews

1. K. Zhao et al. (2024); peri-Fused polyaromatic molecular contacts for perovskite solar cells, Nature, 632, 301–306; DOI: 10.1038/s41586-024-07712-6.
   
2. X. Sun et al. (2025); In-plane compressive strain stabilized formamidinium-based perovskite, Matter, 8 (2), 101920; DOI: 10.1016/j.matt.2024.11.014.