Delaying crystallization and anchoring the grain boundaries defects via π-π stacked molecules for efficient and stable wide-bandgap perovskite solar cells

[Display omitted] •The introduction of DBF accelerates the nucleation of perovskite and delays the crystallization process.•π-π stacked molecules (DBF) anchor the grain boundaries defects by forming adducts with the under-coordinated lead ions.•An excellent PCE of 20.18 % and improved stability were achieved for the DBF-treated devices (1.68 eV bandgap). Owing to the easy migration of halogen ions in wide-bandgap perovskite, it will lead to the formation of a large number of uncoordinated Pb2+ to form deep-level defects, which seriously affects the power conversion efficiency (PCE) and stability of wide-bandgap perovskite solar cells (PSCs). The introduction of additives has been recognized as an effective method to improve these defects, especially Lewis acid-base additives. Herein, Lewis base molecule dibenzofuran (DBF) with π-conjugated system, which can form π-π stacked dimer, is used as a perovskite additive. The detailed crystallization process of perovskite main precursor triggered by DBF is measured by using laser scanning confocal microscopy. It is demonstrated that the addition of DBF in perovskite samples resulted in a deceleration of the crystallization process, which is due to the formation of Lewis acid-base complexes between DBF π-π stacked dimer and perovskite, which can obtain perovskite films with reduced defect density. As a result, the champion PCE of the wide-bandgap (1.68 eV) perovskite device reaches 20.18 %, significantly higher than the control device (17.79 %). Additionally, the device with no encapsulation demonstrates better stability, as it maintains over 90 % of the initial PCE under an air environment with 30–40 % relative humidity (RH) and 25 °C for 1200 h.