Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
DOI: https://doi.org/10.29363/nanoge.matsus.2024.445
Publication date: 18th December 2023
Perovskite materials have gained attention in the field of photovoltaics due to their high conversion efficiency, tunable bandgaps, high charge carrier mobility, low exciton binding energy, and ease of synthesis [1]. Perovskite Solar Cells (PSCs) have demonstrated promising Power Conversion Efficiencies (PCE) of up to 25\%, comparable to the widely commercialized crystalline silicon counterparts. However, achieving highly efficient PSCs requires careful optimization of the perovskite absorbing layer and interfaces with charge-selective contacts.
This study focuses on interface passivation strategies, with a particular emphasis on the use of organic molecules for surface treatment. Organic molecules, especially those containing ammonium (NH3$^+$), show promise in passivating surface trap states [2-3]. The introduction of ammonium-based organic molecules in post-surface treatments leads to the formation of low-dimensional 2D perovskite structures, impacting the quantum confinement regime.
The investigation approaches the correlation between molecular flexibility and the formation of 2D/3D perovskite heterointerfaces, exploring their subsequent effects on solar cell performance. The study synthesizes two variations of a well-studied phenylethylammonium iodide (PEAI): a more rigid trans-2-phenylcyclopropylammonium iodide (PCPEAI) and a more flexible cyclohexylethylammonium iodide (CHEAI).
Detailed analyses, including SEM-Cathodoluminescence [4], reveal that the 2D phases present a heterogeneous distribution over the 3D surface. The study also highlights that the absence of $\pi$-$\pi$ stacking interactions and a higher degree of freedom in the more flexible CHEAI molecule prevent undesirable aggregation, resulting in improved device efficiency. The CHEAI-based devices exhibit a commendable efficiency of close to 21\%. The results indicate that molecular flexibility plays a crucial role in facilitating the formation of 2D phases.
This research contributes valuable insights into the intricate relationship between molecular flexibility, 2D/3D perovskite heterointerfaces, and PSC performance. The findings offer guidance for designing more efficient and stable perovskite solar cells, making progress in next-generation photovoltaic technologies.
We acknowledge support from FAPESP (São Paulo Research Foundation, Grant Numbers 2020/04406-5, 2021/06893-3, 2022/06645-2)
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