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Sn-based perovskite light-emitting diodes (PeLEDs) have emerged as promising alternatives to Pb-based PeLEDs with their rapid increase in performance owing to the various research studies on inhibiting Sn oxidation. However, the absence of defect passivation strategies for Sn-based perovskite LEDs necessitates further research in this field. We performed systematic studies to investigate the design rules for defect passivation agents for Sn-based perovskites by incorporating alkali/multivalent metal salts with various cations and anions. From the computational and experimental analyses, sodium trifluoromethanesulfonate (NaTFMS) was found to be the most effective passivation agent for PEASnI films among the explored candidate agents owing to favorable reaction energetics to passivate iodide Frenkel defects. Consequently, the incorporation of NaTFMS facilitates the formation of uniform films with relatively large crystals and reduced Sn. The NaTFMS-containing PEASnI PeLEDs demonstrate an improved luminance of 138.9 cd/m and external quantum efficiency (EQE) of 0.39% with an improved half-lifetime of more than threefold. This work provides important insight into the design of defect passivation agents for Sn-based perovskites.
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http://dx.doi.org/10.1021/acsami.3c12987 | 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 Chem Phys
September 2025
Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-Ku, Yokohama 236-0027, Kanagawa, Japan.
Perovskite-silicon tandem solar cells have attracted considerable attention owing to their high power conversion efficiency (PCE), which exceeds the limits of single-junction devices. This study focused on lead-free tin-based perovskites with iodine-bromine mixed anions. Bromide perovskites have a wide bandgap; therefore, they are promising light absorbers for perovskite-silicon tandem solar cells.
View Article and Find Full Text PDFSmall
September 2025
Key Laboratory of Luminescence Analysis and Molecular Sensing, Ministry of Education, School of Chemistry and Chemical Engineering, Southwest University, Chongqing, 400715, P. R. China.
Perovskites have a large number of intrinsic defects and interface defects, which often lead to non-radiative recombination, and thus affect the efficiency of perovskite solar cells (PSCs). Introducing appropriate passivators between the perovskite layer and the transport layer for defect modification is crucial for improving the performance of PSCs. Herein, two positional isomers, 1-naphthylmethylammonium iodide (NMAI) and 2-naphthylmethylammonium iodide (NYAI) are designed.
View Article and Find Full Text PDFAdv Mater
September 2025
Key Lab of Artificial Micro- and Nano-Structures of Ministry of Education of China, School of Physics and Technology, Wuhan University, Wuhan, 430072, China.
Sequential deposition technique is widely used to fabricate perovskite films with large grain size in perovskite solar cells (PSCs). Residual lead halide (PbI) in the perovskite film tends to be decomposed into metallic lead (Pb) under long-term heating or light soaking. Here, a chiral levetiracetam (LEV) dopant containing α-amide and pyrrolidone groups is introduced into the PbI precursor solution.
View Article and Find Full Text PDFSmall
September 2025
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences (CAS) Ningbo, Zhejiang, 315201, P. R. China.
Achieving high open-circuit voltage (V) continues to pose a significant challenge for kesterite CuZnSn(S,Se) (CZTSSe) solar cells, predominantly due to the pronounced charge carrier recombination occurring at heterointerface (HEI). To address this issue, an innovative non-metallic boron (B)-modification strategy is developed to optimize the HEI. The key advantages of this strategy are as follows: (i) Leveraging the strong bonding characteristic of B with three valence electrons, the dangling bonds on the absorber surface can be fully saturated, effectively passivating surface states without introducing new defects; (ii) Moreover, diffusion of B into the near-surface region of HEI during selenization process can create weak n-type B donor defects, which lowers the valence band maximum (VBM) of the absorber and mitigates Fermi level pinning.
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