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A universal ligand for lead coordination and tailored crystal growth in perovskite solar cells

Bowen Yang, Jiajia Suo, Dmitry Bogachuk, Waldemar Kaiser, Clemens Baretzky, Oussama Er-Raji, Georgios Loukeris, Asma A. Alothman, Edoardo Mosconi, Markus Kohlstaedt, Uli Wuerfel, Filippo De Angelis, Anders Hagfeldt

ENERGY & ENVIRONMENTAL SCIENCE(2024)

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Abstract
Chemical environment and precursor-coordinating molecular interactions within a perovskite precursor solution can lead to important implications in structural defects and crystallization kinetics of a perovskite film. Thus, the opto-electronic quality of such films can be boosted by carefully fine-tuning the coordination chemistry of perovskite precursors via controllable introduction of additives, capable of forming intermediate complexes. In this work, we employed a new type of ligand, namely 1-phenylguanidine (PGua), which coordinates strongly with the PbI2 complexes in the perovskite precursor, forming new intermediate species. These strong interactions effectively retard the perovskite crystallization process and form homogeneous films with enlarged grain sizes and reduced density of defects. In combination with an interfacial treatment, the resulted champion devices exhibit a 24.6% efficiency with outstanding operational stability. Unprecedently, PGua can be applied in various PSCs with different perovskite compositions and even in both configurations: n-i-p and p-i-n, highlighting the universality of this ligand. Phenylguanidine, a strong ligand in the precursor solution, retards crystallization to enlarge grain sizes and reduce defect density of a perovskite film, demonstrating excellent universality across various compositions.
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