Thiol Chemistry Unleashes Durable Perovskite Solar Cells: A Breakthrough in Defect Passivation and Ion Migration Suppression

August 17, 2026

Chem (The Royal Society of Chemistry) International Research

Overview

Breakthrough research highlights thiol molecules as exceptionally effective agents for defect passivation and interfacial modification in perovskite solar cells, dramatically boosting their durability. The strong coordination of thiol sulfur atoms with undercoordinated metal ions (e.g., Pb2+, Sn2+) reduces non-radiative recombination and suppresses ion migration, key factors in device degradation. Moreover, cleverly designed multifunctional thiols enable precise control over material synthesis and film properties, leading to enhanced mechanical stability and optimized grain structures for superior, long-lasting devices.

In Depth

Background

Despite their impressive efficiency potential, perovskite solar cells continue to face a major hurdle to commercialization: insufficient long-term stability. Device degradation is often triggered by exposure to moisture, heat, and light, but critically, also by internal ion migration. Traditionally used in surface science and catalysis for its robust metal coordination, thiol chemistry has now emerged as a highly promising avenue for advanced perovskite interfacial engineering. This novel approach presents a simple yet powerful solution to enhance durability, garnering significant interest from researchers worldwide.

Key Findings

Groundbreaking research underscores the exceptional efficacy of thiol molecules in both defect passivation and interfacial modification for perovskite solar cells, contributing significantly to their enhanced durability. Studies reveal that the sulfur atoms within thiols form robust coordinate bonds with undercoordinated metal ions, such as Pb2+ and Sn2+, embedded in the perovskite lattice. This crucial interaction not only effectively reduces non-radiative recombination pathways but also fundamentally suppresses ion migration—a primary driver of device degradation. Furthermore, the strategic design of multifunctional thiol architectures enables sophisticated control over precursor chemistry, film formation kinetics, crystallization processes, and long-term material aging, ultimately leading to superior mechanical stability and precisely controlled grain growth within the perovskite films.

Technical Details

Thiol Molecule Mechanism: The sulfur atom in thiol (R-SH) molecules functions as a potent Lewis base, readily forming coordinate bonds with uncoordinated metal sites (e.g., Pb2+ and Sn2+) which typically arise from halide vacancies within the perovskite crystal lattice. This robust bonding effectively passivates these defect sites, thereby preventing them from trapping charge carriers.
Suppression of Non-Radiative Recombination: Through effective defect passivation, thiols significantly suppress non-radiative recombination—a detrimental process where photogenerated electrons and holes lose energy as heat instead of contributing to the electrical current. This suppression leads to extended carrier lifetimes and, consequently, boosts power conversion efficiencies.
Mitigation of Ion Migration: The adsorption of thiol molecules onto the surface and grain boundaries of perovskite crystals establishes a physical and chemical barrier that actively inhibits the movement of detrimental ionic defects (such as halide ions) under both thermal and electrical stress. Suppressing ion migration is paramount for achieving long-term operational stability in perovskite solar cells.
Multifunctional Thiol Architectures: By strategically designing thiols with multiple functional groups, researchers can achieve more than just defect passivation. They can also exert precise control over various critical aspects of the perovskite fabrication process, including modulating the viscosity and surface tension of precursor solutions, dictating crystallization kinetics, and profoundly influencing overall film quality and uniformity. These collective enhancements contribute directly to improved device reproducibility and performance.

Strategic Significance and Outlook

This innovative thiol chemistry-based approach opens exciting new frontiers for developing significantly more durable perovskite solar cells. A deeper understanding and precise optimization of defect passivation and ion migration suppression mechanisms, combined with the rational design of sophisticated multifunctional thiol molecules, could enable perovskite solar cells to achieve lifetimes comparable to, or even surpassing, existing silicon photovoltaic technologies. Such a breakthrough would dramatically enhance the cost-effectiveness of solar power, accelerate the global adoption of renewable energy, and represent a vital step forward in securing sustainable energy solutions.

Source: https://pubs.rsc.org/cc/article/doi/10.1039/d6cc03627a/1289399/Orchestrating-thiol-chemistry-toward-durable

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