Solvent Gaming Chemistry to Control the Quality of Halide Perovskite Thin Films for Photovoltaics

Abstract

Research on solvent chemistry, particularly for halide perovskite intermediates, has been advancing the development of perovskite solar cells (PSCs) toward commercial applications. A predictive understanding of solvent effects on the perovskite formation is thus essential. This work systematically discloses the relationship among the basicity of solvents, solvent-contained intermediate structures, and intermediate-to-perovskite α-FAPbI₃ evolutions. Depending on their basicity, solvents exhibit their own favorite bonding selection with FA⁺ or Pb²⁺ cations by forming either hydrogen bonds or coordination bonds, resulting in two different kinds of intermediate structures. While both intermediates can be evolved into α-FAPbI₃ below the δ-to-α thermodynamic temperature, the hydrogen-bond-favorable kind could form defect-less α-FAPbI₃ via sidestepping the break of strong coordination bonds. The disclosed solvent gaming mechanism guides the solvent selection for fabricating high-quality perovskite films and thus high-performance PSCs and modules.