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Mixed-Cation Mixed-Metal Halide Perovskites for Photovoltaic Applications: A Theoretical Study
摘要： Perovskite solar cells based on multiple cations have shown excellent optoelectronic properties with high power conversion efficiency. Herein, the structural, electronic, and optical properties of mixed-cation mixed-metal perovskites MA1?xCsxPb0.25Sn0.75I3 were studied by employing the first-principles calculations for the first time. Our calculated results reveal that these perovskite materials possess direct band gaps in the range of 1.0?1.3 eV. Moreover, these compounds show excellent photovoltaic performance in terms of strong optical absorption coefficients compared with MAPbI3. Particularly, they also exhibit good structural stability and decrement of lead content. These results demonstrated that mixed-cation mixed-metal perovskites may be potential candidates for high-efficiency light-absorbing materials.
关键词： mixed-cation mixed-metal perovskites,electronic properties,optical properties,first-principles calculations,photovoltaic applications,structural stability
更新于2025-09-23 15:21:01
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MACl Induced Intermediate Engineering for High-performance Mixed Cation Perovskite Solar Cells
摘要： Recently, mixed-cation perovskite has been extensively used for high-performance solar cells. Nevertheless, the mixed-cation perovskite based on formamidinium methylammonium lead tri-iodide (FAxMA1-xPbI3) fabricated through the existing methods often suffers phase stability and much trap density. Herein, we demonstrate a facile intermediate engineering approach to improve the quality of mixed-cation perovskite based on FAxMA1-xPbI3. Varying concentrations of methylammonium chloride (MACl) is used to treat FA-MA-PbI3-solvent intermediate. It is noted that MACl has a strong impact on the crystallization kinetics, charge carrier dynamics as well as defect density of obtained perovskite. The mixed-cation perovskite treated with 20 mg mL-1 MACl yields large grain size, highly uniform morphology, better crystalline stability. Subsequently, the device with acquired high-quality mixed-cation perovskite shows a high efficiency of 20.40%, which is obviously higher than that obtained from the traditional non-treated method. Moreover, the device prepared through the developed method could retain over 85% of the initial efficiency after 860 h at room temperature.
关键词： stability,MACl-treatment,intermediate engineering,mixed-cation perovskite,high efficiency
更新于2025-09-23 15:19:57
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Room-temperature Sputtered NiOx for hysteresis-free and stable inverted Cs-FA mixed-cation perovskite solar cells
摘要： In this research, a room-temperature sputtering technology for fabricating high performance NiOx film was developed, which was applicable for inverted cesium (Cs)-formamidinium (FA) mixed-cation perovskite solar cells (PSCs). The Ni3t/Ni2t ratio in sputtered NiOx film was effectively adjusted by controlling Ar pressure while sputtering. NiOx films with appropriate Ni3t/Ni2t ratio exhibit uniform surface morphology, high transmittance, and better energy level match with the perovskite layer. By using this sputtered NiOx film as hole transporting layer, short-circuit current density (Jsc), open-circuit voltage (Voc), fill factor (FF) and power conversion efficiency (PCE) of a champion inverted PSC were 19.25 mA/cm2, 1.05 V, 0.80 and 16.23%, respectively. Also, these devices remained 90.6% of their initial PCE after light soaking at a surrounding temperature of 50°C for more than 600 h.
关键词： Stability,Room-temperature,Magnetron sputtering,Cs-FA mixed-cation perovskite,NiOx HTL
更新于2025-09-23 15:19:57
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Effect of temperature on the performance of perovskite solar cells
摘要： The poor stability of perovskite solar cells is a crucial obstacle for its commercial applications. Here, we investigate the thermal stability of the mixed cation organic–inorganic lead halide perovskites (FAPbI3)1?xMAPb(Br3?yCly)x films and devices in air atmosphere. The results show that with the increase of heat treatment from 25 to 250 °C, the MA-perovskite decomposed into PbI2 firstly and the efficiency of corresponding solar cells reduced linearly. For the perovskite film, the increased heat treatment temperature can bring the redshift of the absorption edge leading to the decrease of band gap from 1.569 to 1.508 eV and increase of defect density from 3.87 × 1017 cm?3 to 9.03 × 1017 cm?3. However, a proper heat treatment time (10 min) at certain temperature (85 °C) can passivate defects effectively and improve the efficiency to 16.50%, realizing a 15% relative improvement of average efficiency. This work reveals a detailed thermal decomposition behavior of perovskite material and solar cells, which may provide insights into the stability of perovskite solar cells.
关键词： defect passivation,heat treatment,perovskite solar cells,thermal stability,mixed cation organic–inorganic lead halide perovskites
更新于2025-09-23 15:19:57
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Simple processing additive-driven 20% efficiency for inverted planar heterojunction perovskite solar cells
摘要： Compositional engineering has been a strong tool to improve the quality of the perovskite materials, and in turn the reproducibility of the solar cells. However, the control over the active layer uniformity, one of the most important requirements for the obtainment of efficient devices, is still a weak point of Perovskite Solar Cells (PSCs) manufacturing. Here, we develop an approach to grow a uniform mixed cation perovskite layer, foreseeing its implementation in inverted solar cells endowing organic transporting layers, through the addition of stoiochiometric amount of tropolone as chelating agent for the lead. Thanks to a low melting and boiling temperature, tropolone is present in the system only during the colloidal liquid phase, leaving the film during its formation, this unique characteristic promotes the obtainment of ideal perovskite surface morphologies and an increased short circuit current of photovoltaic devices. A maximum power conversion efficiency of 20 % was obtained, with a 25% increase with respect to the reference.
关键词： mixed cation perovskite,inverted solar cell,tropolone
更新于2025-09-19 17:13:59
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High-performance mixed-cation mixed-halide perovskite solar cells enabled by a facile intermediate engineering technique
摘要： Perovskite solar cells (PSCs) have attracted considerable attention in the photovoltaic field. However, most efficient mixed-cation mixed-halide perovskite in PSCs suffers from phase instability and large flux of trap states by existing methods, which limits the device performance. Herein, a facile intermediate engineering technique of the MAI-PbI2 intermediate layer via FABr solution is employed to get high-quality mixed perovskite films. The results illustrate that the proposed approach can improve the grain size, morphology, crystallization, consequently reducing defect density of the perovskite layer. The devices which treated with FABr exhibit much-enhanced performance in comparison to the pristine and traditional mixed-cation mixed-halide devices. Consequently, a champion PSC with the best power conversion efficiency of 20.08% is obtained. Moreover, the devices based on the developed FABr-treatment technique also shows much-improved stability than the mixed perovskite-based devices fabricated from the traditional method. Therefore, this approach provides a simple technique to produce high-quality mixed perovskite film and subsequently may facilitate the commercialized production of high-performance PSCs in the future.
关键词： High-quality,Mixed-cation mixed-halide perovskite,FABr,Stability,Intermediate engineering
更新于2025-09-16 10:30:52
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Incorporating CsF into the PbI <sub/>2</sub> Film for Stable Mixed Cation‐Halide Perovskite Solar Cells
摘要： Adding a small amount of CsI into mixed cation-halide perovskite film via a one-step method has been demonstrated as an excellent strategy for high-performance perovskite solar cells (PSCs). However, the one-step method generally relies on an antisolvent washing process, which is hard to control and not suitable for fabricating large-area devices. Here, CsF is employed and Cs is incorporated into perovskite film via a two-step method. It is revealed that CsF can effectively diffuse into the PbI2 seed film, and drastically enhances perovskite crystallization, leading to high-quality Cs-doped perovskite film with a very long photoluminescence carrier lifetime (1413 ns), remarkable light stability, thermal stability, and humidity stability. The fabricated PSCs show power conversion efficiency (PCE) of over 21%, and they are highly thermally stable: in the aging test at 60 °C for 300 h, 96% of the original PCE remains. The CsF incorporation process provides a new avenue for stable high-performance PSCs.
关键词： CsF,mixed cation-halide perovskite solar cells,stability,Cs incorporation
更新于2025-09-11 14:15:04
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Benzodithiophene-Thienopyrroledione-Thienothiophene-based Random Copolymeric Hole Transporting Material for Perovskite Solar Cell
摘要： Hole transport materials (HTMs) with different hole extraction abilities play an important role in dictating the efficiency of the perovskite solar cells (PSCs). Besides, employing a donor acceptor (D-A) random copolymer HTM to bring out deeper HOMO energy level is highly beneficial to the hole extraction and durability of PSCs. In this context, a highly soluble D-A based random copolymeric benzodithiophene-thienopyrroledione-Thienothiophene derivatives (RCP-BTT) HTM has been derived from the backbone structure of Poly({4,8-bis[(2ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7). The synthesized dopant-free RCP-BTT HTM shows a deeper HOMO energy level (-5.28 eV) due to its high compatibility than PTB7 level (-5.15 eV) based on perovskite energy level. Gradient band alignment of RCP-BTT has provided efficient hole extraction in the PSCs made of Cs-containing triple cation perovskite as absorber resulting in the efficient photovoltaic performance of RCP-BTT. The RCP-BTT with dopant shows significantly increased Voc (1.09 V) with respect to that of parent PTB7 (Voc of 1.06 V), resulting in an enhanced efficiency of 14.57% than that of PTB7 (12.02%). On the whole, the improvement in photovoltaic performance of PSC based on the polymeric RCP-BTT HTM is attributable to its deeper HOMO energy level and exceptional hole extraction ability.
关键词： Random copolymer,band alignment,mixed cation,hole extraction,perovskite solar cells
更新于2025-09-11 14:15:04