Sequential Organic Ligand Modifications to Dedicatedly Restructure Grain Boundary and Surface of Perovskites.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 41390479.
- Also identified by DOI 10.1038/s41467-025-66478-1 and PMC identifier 12749784.
- Licence recorded as CC BY-NC-ND.
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Abstract
The durability of perovskite solar cells (PSCs) is substantially limited by defects and imperfect structures at grain boundaries (GBs) and grain surfaces (GSs) of perovskites, where common single-step ligand passivation struggles due to ligand heterogeneous distributions and distinct chemical environments. Herein, we demonstrate a two-step sequential dedicated-ligand (TSS-DL) strategy that selectively targets GBs and GSs through spatially resolved interactions of the dedicated ligands. We identified two classes of dedicated ligands, including Ligand X, notably 2,2-difluoroacetamide bromide (DFABr) for GBs to restructure them into stable 2D perovskites and suppress defects, and Ligand Y, featuring 4-aminopiperidinium dibromide (4APPBr<sub>2</sub>) for GSs to create a rigid 2D perovskite overlayer that shields 3D perovskites from external stresses. TSS-DL-treated PSCs retain >93% of their power conversion efficiency (PCE) after 3,000 hours of operation and >90% after 4,000 hours under high humidity (>85% RH). By sequentially restructuring GBs and GSs using dedicated ligands, the work provides an effective way to overcome the instability of 3D PSCs while maintaining high performance.