Optimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component Performance

Optimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component Performance

Core Innovation Summary

Innovation: By introducing Piracetam as a crystal modifier, we optimize the nucleation and grain boundary structure of wide bandgap perovskite (WBG, 1.77 eV), achieving large grain sizes (1 μm), preferred orientation ((110) crystal plane), and one-dimensional needle-like structures (1D (Pi)PbI₃), significantly enhancing device efficiency and stability.

Implementation Method:

Molecular Regulation: Piracetam binds with uncoordinated Pb²⁺ through amide groups, inhibiting defect formation and preferentially adsorbing on the (110) crystal plane, promoting uniform crystallization.

Post-Treatment Reaction: During the annealing process, Piracetam reacts with residual PbI₂ to generate one-dimensional nanoneedles at the grain boundaries, passivating defects and inhibiting ionic migration.

Effects:

Efficiency Improvement: The efficiency of single-junction WBG devices reaches 20.35% (certified VOC=1.36 V), while the efficiencies of all-perovskite tandem devices (0.07 cm² and 1.02 cm²) are 28.71% and 28.20%, respectively, with the efficiency difference between small and large area devices reduced to 0.51%.

Scalability Compatibility: The surface roughness of WBG perovskite films is reduced to 17.2 nm (compared to 28.6 nm in the control group), making it suitable for large-area coating techniques (such as blade coating).

Author Team: Jointly published by Ke Weijun from Wuhan University, South China Normal University, and Shanghai Synchrotron Radiation Facility.

Perovskite Component Device Structure

1. Single-junction wide bandgap (WBG) device (1.77 eV):

Transparent Electrode: ITO (Indium Tin Oxide).

Hole Transport Layer (HTL): NiOx nanoparticles + Me-4PACz (self-assembled monolayer).

Perovskite Absorbing Layer: FA0.8Cs0.2PbI1.8Br1.2 (with Piracetam added).

Electron Transport Layer (ETL): C60 (fullerene) + BCP (bathocuproine).

Top Electrode: Thermal evaporation of Cu (100 nm).

2. All-perovskite tandem device (WBG + NBG):

Top WBG sub-cell: Same as above.

Intermediate Composite Layer: ALD-SnO₂ + ultrathin Au (1 nm) + PEDOT:PSS.

Bottom Narrow Bandgap (NBG) sub-cell: FA0.7MA0.3Sn0.5Pb0.5I₃ (with AspCl passivation agent added).

Top Electrode: C60 + BCP + Cu.

Solution Preparation and Device Fabrication Process

1. WBG perovskite precursor solution:

Formula: Dissolve FAI, PbI₂, PbBr₂, CsI in a stoichiometric ratio in a mixed solvent of DMF:DMSO (4:1), concentration 1.2 M.

Additive: Piracetam (3–15 mg/ml) is directly added to the precursor solution.

2. Single-junction WBG device fabrication::

Substrate Treatment: ITO glass is ultrasonically cleaned (water → acetone → isopropanol → ethanol) and plasma cleaned.

HTL deposition:

NiOx nanoparticle solution (10 mg/ml aqueous solution) is spin-coated (3000 rpm, 35 s), followed by annealing at 140°C for 30 minutes.

Me-4PACz solution (0.3 mg/ml ethanol) is spin-coated (3000 rpm, 30 s), followed by annealing at 100°C for 10 minutes.

Perovskite Spin Coating:

Precursor solution (40 μl) is dropped, first spinning at 1000 rpm for 5 seconds, then at 5000 rpm for 30 seconds, while adding ether anti-solvent (300 μl).

Annealing: 65°C for 2 minutes → 100°C for 15 minutes.

Surface Passivation: PDAI₂ solution (2 mg/ml isopropanol) is spin-coated (4000 rpm, 30 s), followed by annealing at 100°C for 10 minutes.

Top Electrode Deposition: Sequentially deposit C60 (20 nm), BCP (7 nm), Cu (100 nm).

3. All-perovskite tandem device fabrication:

WBG sub-cell: After depositing the C60 layer, deposit ALD-SnO₂ (20 nm).

Intermediate Composite Layer: Deposit 1 nm Au, spin-coat PEDOT:PSS (5000 rpm, 30 s), followed by annealing at 100°C for 15 minutes.

NBG sub-cell:

Precursor solution (FA0.7MA0.3Sn0.5Pb0.5I₃, 2.1 M) is spin-coated (1000→4000 rpm), followed by annealing at 100°C for 10 minutes.

Passivation: AspCl solution (0.2 mg/ml isopropanol) is spin-coated (4000 rpm, 30 s), followed by annealing at 100°C for 7 minutes.

Top Electrode: Deposit C60, BCP, Cu.

Original Link: https://www.nature.com/articles/s41560-025-01760-6#Sec17

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Optimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component PerformanceOptimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component PerformanceOptimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component PerformanceOptimizing Wide Bandgap Perovskite Crystallization with Novel Additives to Enhance Component Performance

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