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The perovskite film prepared by the two-step spin coating method is widely used in photovoltaic devices due to its good film morphology and great reproducibility. However, there usually exists excessive lead iodide (PbI) in the perovskite film for this method, which is believed to passivate the grain boundaries (GBs) to increase the efficiency of the perovskite solar cells. Nevertheless, the excessive PbIat the GBs of perovskite is believed to induce the decomposition of the perovskite film and undermine the long-term stability of devices. In this study, we utilize precursor engineering to realize the preparation of perovskite solar cells with high efficiency and stability. The concentration of organic salts (AX: A = MA, FA; X = I, Cl) in the precursor solution for the second step of the two-step spin coating method is adjusted to optimize the perovskite light-absorbing layer so that the excessive PbIis converted into perovskite to obtain a smooth and pinhole-free perovskite film with high performance. Our results indicate that by adjusting the concentration of AX in the precursor solution, PbIin the film could be completely converted into perovskite without excessive AX residue. Both the efficiency and stability of the perovskite solar cells without excessive PbIhave been significantly improved. A planar perovskite solar cell with the highest power conversion efficiency (PCE) of 21.26% was achieved, maintaining about 90% of the initial PCE after 300 h of storage in a dry air environment and in the dark, about 76% of the initial PCE after 300 h of continuous illumination of 1 Sun.
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http://dx.doi.org/10.1088/1361-6528/ac9f4f | DOI Listing |
Nano Lett
September 2025
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, China.
Passivating detrimental defects is essential for improving perovskite solar cells (PSCs) performance. While hydrogen interstitials are often considered harmful, their role in defect passivation remains unclear. Using nonadiabatic molecular dynamics, we uncover a self-passivation mechanism between hydrogen (H) and bromine (Br) interstitials in all-inorganic CsPbBr perovskites.
View Article and Find Full Text PDFJ Comput Chem
September 2025
Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur, Bangladesh.
This study presents a comprehensive first-principles and device-performance investigation of alkali metal-based anti-perovskites ZBrO (Z = K, Rb, Cs, and Fr) for advanced optoelectronic and photovoltaic applications. Using density functional theory (DFT) with GGA-PBE and mGGA-rSCAN functionals, we analyzed the structural, electronic, optical, mechanical, phonon, population, and thermoelectric properties of these compounds. All ZBrO materials exhibit direct band gaps and strong optical absorption in the visible-UV spectrum.
View Article and Find Full Text PDFAdv Mater
September 2025
Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, Calle Catedrático José Beltrán 2, Paterna, 46980, Spain.
Formamidinium lead iodide perovskite compositions have a low open circuit voltage deficit and thus a higher power conversion efficiency (PCE) potential. However, their low bandgap makes it difficult to achieve a semitransparent perovskite solar cell (ST-PSC) with a high average visible transmittance (AVT) and thus, a high light utilization efficiency (LUE). Attaining a high AVT in such low bandgap perovskite‑based semitransparent solar cells requires the perovskite layer to be very thin (thickness < ≈100 nm) and the rear electrode to be made of a transparent conductive oxide.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87106, United States.
Defects significantly influence charge transport in CHNHPbI (MAPbI) perovskite solar cells, particularly at interfaces. Using quantum dynamics simulation, we reveal a distinct interstitial iodine (I) defect behavior at different positions in the TiO/MAPbI system. In the perovskite bulk-like region, I exhibits high mobility and dissociates detrimental iodine trimers, facilitating small-to-large polaron transition and promoting shallow trap formation.
View Article and Find Full Text PDFRSC Adv
September 2025
School of Engineering and Technology, National Textile University 37640 Faisalabad Pakistan
[This retracts the article DOI: 10.1039/D4RA01544D.].
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