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Theoretical and experimental investigations on the bulk photovoltaic effect in lead-free perovskites MASnI <sub/>3</sub> and FASnI <sub/>3</sub>
摘要： Perovskite solar cells based on the lead free hybrid organic–inorganic CH3NH3SnI3 (MASnI3) and CH4N2SnI3 (FASnI3) perovskites were fabricated, and the photoelectric conversion e?ciency (PCE) was assessed. FASnI3's PCE was higher than MASnI3's e?ciency. To study the di?erent photovoltaic properties, we calculated their structural, electronic, and optical properties using density functional theory via the Perdew–Burke–Ernzerhof and spin–orbit coupling (PBE-SOC) methods. The results show that FASnI3 exhibits an appropriate band gap, substantial stability, marked optical properties, and signi?cant hole and electron conductive behavior compared with MASnI3. The interaction of organic cations (FA+) with the inorganic framework of FASnI3 was stronger than that with MASnI3, so they a?ected the band length and band angle distribution, causing the structure of the FASnI3 and MASnI3 to change. The calculations also demonstrated that energy splitting was evident in FASnI3 due to the spin–orbit coupling e?ect, however, it was moderate in MASnI3, which was caused by the H bond e?ect. This research not only furthers the understanding of these functional materials, but also can assist the development of highly e?cient and stable non-lead perovskite solar cells.
关键词： MASnI3,Perovskite solar cells,spin–orbit coupling,lead-free,density functional theory,photoelectric conversion efficiency,FASnI3
更新于2025-09-23 15:19:57
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Conjugated Organic Cations Enable Efficient Self-Healing FASnI3 Solar Cells
摘要： The introduction of large-volume amines (LVAs) in Sn-based perovskite films has been shown to lead to promising power conversion efficiency (PCE) in Pb-free perovskite solar cells (PSCs). However, the LVAs adopted so far (e.g., phenylethylammonium [PEA] and butylammonium [BA]) are insulating and could impede charge extraction within the perovskite film. Herein, a conjugated LVA, 3-phenyl-2-propen-1-amine (PPA), is introduced in formamidinium tin iodide (FASnI3) perovskite. Our results show that the incorporation of PPA results in enlarged grain sizes, reduced trap density, preferential orientation, efficient charge extraction, and enhanced structural stability of FASnI3 film. These positive effects help in achieving efficient PSCs with a PCE as high as 9.61% with negligible hysteresis and outstanding stability (remains 92% of its initial PCE value after 1,440 h). Furthermore, the presence of PPA enables a self-healing action of PSCs. Most importantly, we report large-area (1 × 1 cm2) Sn-based PSCs achieving PCE of 7.08%.
关键词： FASnI3 solar cells,Lead-free perovskite,Photovoltaic performance,Self-healing,Conjugated organic cations
更新于2025-09-19 17:13:59
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Efficient and stable tin-based perovskite solar cells by introducing π-conjugated Lewis base
摘要： Tin-based perovskite solar cells (TPSCs) as the most promising candidate for lead-free PSCs have incurred extensive researches all over the world. However, the crystallization process of tin-based perovskite is too fast during the solution-deposited process, resulting in abundant pinholes and poor homogeneity that cause serious charge recombination in perovskite layer. Here, we employed the π-conjugated Lewis base molecules with high electron density to systematically control the crystallization rate of FASnI3 perovskite by forming stable intermediate phase with the Sn-I frameworks, leading to a compact and uniform perovskite film with large increase in the carrier lifetime. Meanwhile, the introduction of the π-conjugated systems also retards the permeation of moisture into perovskite crystal, which significantly suppresses the film degradation in air. These benefits contributed to a stabilizing power conversion efficiency (PCE) of 10.1% for the TPSCs and maintained over 90% of its initial PCE after 1000-h light soaking in air. Also, a steady-state efficiency of 9.2% was certified at the accredited test center.
关键词： FASnI3 perovskite,π-conjugated Lewis base,perovskite solar cells,power conversion efficiency,crystallization rate
更新于2025-09-12 10:27:22
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Efficient Anti-solvent-free Spin-Coated and Printed Sn-Perovskite Solar Cells with Crystal-Based Precursor Solutions
摘要： The existence of a mass oxidation of Sn2+ that takes place mainly during preparation of precursor solutions and fabrication of films creates a lead-free solar cell of low open-circuit voltage, which leads to low PCE. To reduce the oxidation process, we employed an innovative crystal fabrication method with anti-solvent-free recrystallization technology. As a result, to the best of our knowledge, both spin-coated and printed lead-free solar cells based on FASnI3 achieved the highest 3D-based PCE to date.
关键词： FASnI3,anti-solvent-free method,lead-free solar cells,PCE,single crystals
更新于2025-09-11 14:15:04