Publication date: 21st July 2025
Interfacial defects and charge recombination significantly hinder the efficiency and stability of perovskite solar cells (PSCs). These defects, particularly at the interfaces between the perovskite absorber and charge transport layers, lead to deep trap states that promote non radiative recombination and limit device performance. To overcome these challenges, we developed a dual functional interfacial engineering strategy using fluorescein disodium salt (FLNa2), a Lewis base rich molecule. FLNa2 contains oxygen rich functional groups capable of coordinating with under coordinated Pb2⁺ ions in the perovskite and interacting with the PEDOT:PSS hole transport layer (HTL). This dual role enables simultaneous passivation of defects at both interfaces.
FLNa2 effectively neutralizes antisite defects and suppresses deep trap states in the perovskite layer, thereby minimizing recombination losses and enhancing charge extraction. It also improves perovskite film morphology by promoting better crystallinity and reducing pinhole formation. Additionally, the modified PEDOT:PSS interface leads to improved energy level alignment and interfacial contact. As a result, devices incorporating FLNa2 exhibit a ~13.24% increase in power conversion efficiency. Trap density measurements confirm a substantial reduction in defect states in FLNa2-5 treated devices, highlighting the molecule’s strong passivation capability.
Device performance studies reveal a significant improvement in photovoltaic parameters. The FLNa2-5 based device achieves a PCE of ~18.72% (FF ~77.3%, Voc ~989.3 mV, Jsc ~24.48 mA/cm²), outperforming both the pristine (~16.53%) and FLNa2-10 (~16.03%) devices. The performance drop at higher additive concentrations is attributed to possible disruption in interface morphology or charge transport pathways. This study underscores the importance of molecular level interface engineering in PSCs. The multifunctional role of FLNa2 demonstrates its potential as a scalable and effective additive for improving both the performance and long-term stability of perovskite photovoltaics. Overall, this work underscores the pivotal role of molecular level interface engineering via oxygen lead coordination. The multifunctionality of FLNa2 makes it a promising additive for advancing both efficiency and operational stability in next-generation perovskite photovoltaics.
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