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Advancing 1.84 eV Wide-Bandgap Perovskite Photovoltaics Beyond 20% via Single-Facet-Oriented Self-Assembled Molecules
Qiannan Li1,2, Fei Wang3, Baolei Tang4
1State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun, China.
Advanced Materials (Deerfield Beach, Fla.)
|August 14, 2026
Summary
Dipole-engineered molecules control crystal growth in self-assembled monolayers (SAMs), enhancing charge transport for efficient solar cells. This strategy improves perovskite solar cell efficiency and stability.
Area of Science:
- Materials Science
- Organic Electronics
- Photovoltaics
Background:
- Uncontrolled crystal growth and structural heterogeneity in solution-processed self-assembled molecules (SAMs) limit interfacial charge transport.
- Efficient charge transport is crucial for high-performance solar cells.
Purpose of the Study:
- To develop a dipole-engineered molecular strategy for regulating SAMs crystallization.
- To improve interfacial energetics and charge extraction in perovskite solar cells.
Main Methods:
- Rational design of fluorinated benzimidazole-carboxylic acid (BzIm-COOH) derivatives.
- Co-assembly of BzIm-COOH with parent SAMs to direct crystal growth.
- Characterization of SAMs morphology, interfacial energetics, and device performance.
Main Results:
- BzIm-COOH molecules induced strong electrostatic and dipole-dipole interactions, leading to highly oriented SAMs with (100) facet growth.
- 3F-COOH, with the largest dipole moment, showed the most significant facet-directing capability.
- Perovskite solar cells incorporating 3F-COOH achieved a champion efficiency of 20.16% and improved operational stability.
- The strategy enabled high efficiencies in perovskite/organic (26.75%) and perovskite/silicon (32.34%) tandem devices.
Conclusions:
- Dipole-engineered molecular engineering is a powerful approach for directing SAMs crystallography.
- This strategy optimizes charge-selective interfaces and enhances solar cell performance and stability.
- The method is applicable to various perovskite-based photovoltaic devices.
