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Suppression of Iodide Ions Migration via Sb2S3 interfacial Modification for stable Inorganic Perovskite Solar Cells
摘要： In mixed halide perovskite, the halide phase segregation is commonly observed due to halide ions migration, which causes severe stability issues in perovskite devices. Here, we directly revealed the iodide-migration process via potentiostatic treatment in CsPbIBr2 perovskite. The absence of iodide ions was reduced significantly via Sb2S3 interfacial modification. We further employed the DFT calculation to optimize the geometry positions at the perovskite interface and radial distribution functions (RDF) to analyze the atom perturbation. The simulation yielded a slight distortion of perovskite lattice at the interface of Sb2S3-CsPbIBr2 and iodide ions fluctuation was reduced due to the decrease of halide vacancies. In addition, the thermally stimulated current was calculated to evaluate the defects density in the modified perovskite device. Due to the Sb2S3 interaction with perovskite, the device became stable against humidity and maintained photoactive over 400 h. The champion efficiency of 9.31% with 26.31% improvement was obtained in modified CsPbIBr2 perovskite solar cells.
关键词： stability,The mixed halide perovskite,Sb2S3,DFT,iodide ions migration
更新于2025-11-14 15:15:56
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Dual Functions of Crystallization Control and Defect Passivation Enabled by an Ionic Compensation Strategy for Stable and High-Efficient Perovskite Solar Cells
摘要： The fabrication of perovskite films with high crystallization quality, less defects and fewer grain boundaries (uncoordinated ions), is one critical step to obtain excellent power conversion efficiency (PCE) and stability of perovskite solar cells (PSCs). In this work, we develop a novel method to control the perovskite growth toward better crystallinity and less defects using I- and thiourea as additives for the first time (we define ITU for I- and thiourea). Grain boundaries in the perovskite films are significantly reduced compared with the traditional method. Moreover, concentration of the defects in perovskite films is decreased by nearly one-half. Based on high-quality films, the PSCs with a champion PCE of 20.39% present a stabilized output efficiency of 19.26% under one sun illumination compared with that of the control devices (17.75%). The devices also exhibit small hysteresis and excellent long-term and light stability. The devices can retain 80% of the initial PCE after 100 h of light soaking or 30 days of aging in ambient atmosphere. This work not only demonstrates a novel approach to passivate the defects by balancing iodide ions, but also offers a strategy to control the perovskite film growth, which can be widely used in photoelectric devices.
关键词： iodide ions,crystallinity,defect states,perovskite solar cells,light stability
更新于2025-09-12 10:27:22