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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Controlling the microstructure and orientation of PbI2 for highly efficient and stable perovskite solar cells

Mingxi Yang,Zhenlong Zhang,Huafang Zhang,Yuefeng Liu,Huiping Gao,Yanli Mao

The two-step sequential deposition method has been widely applied to fabricate the perovskite films due to its better reproducibility and easy operation. The perovskite film is formed by a reaction of the pre-deposited PbI 2 film with organic amine salts. Therefore the microstructure and crystal orientation of the pre-deposited PbI 2 are crucial for preparing high-quality perovskite film. However, controlling the growth of the pre-deposited PbI 2 is a challenge. Herein, we added an additive of 1, 4-dichlorobenzene (DCB) to the PbI 2 precursor solution. The DCB molecule connects two crystal planes of the PbI 2 through an interaction between the Pb 2+ and the two Cl − in DCB, which induces the formation of a layered structure PbI 2 , and the growth along with the (001) plane to form an orientated PbI 2 film. Thus high-quality perovskite films with reduced defect states, improved charge transfer efficiency, and better energy level structure were obtained. Consequently, a high efficiency of 24.27% was achieved for the perovskite solar cells (PSCs) with DCB additive. Moreover, the stability of the PSCs was improved. The unencapsulated devices remain 82.6% of the initial efficiency after aging for 1100 h in air.

CAS / MDL: 106-46-7 67-68-5 68-12-2
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EUROPEAN JOURNAL OF INORGANIC CHEMISTRY · 2021 ·Vol. 2021 ·期 9 ·821-830 · IF 2.524

The Impact of PbI2:KI Alloys on the Performance of Sequentially Deposited Perovskite Solar Cells

Xiaoyan Yu,Qin Zhou,Jianbin Xu,Lusheng Liang,Xiaobing Wang,Jihuai Wu,Peng Gao

As univalent cation to the ammonium ions, alkali metal ions become vital alternatives or additives for the A-site ions of lead halide perovskites. They were reported to construct new perovskite structures or bring new features like reduced defect density, suppressed hysteresis, improved power conversion efficiencies (PCEs), stability, etc. In this work, by making an alloyed film of PbI 2 :KI in the first step of the sequential deposition, we find that a low concentration of KI can improve the roughness and microstructure of the PbI 2 film, facilitating the intercalation of ammonium salt into PbI 2 . In comparison, a higher concentration of KI will lead to the formation of K 2 PbI 4 clusters, resulting in perovskite films with decreased quality and high V OC loss in devices. The best-performing device based on one PbI 2 :KI alloy shows an enhanced PCE from 19.60 % to 21.18 %. The study can provide a referential insight into the influence of K + on the formation of perovskite films and the performance of corresponding devices. Graphical In recent years, alkali metal ions have been widely exploited to optimize the performance of perovskite solar cells. This work aims to explore the effect of potassium in the form of PbI 2 :KI alloy on perovskite solar cells. A high-quality perovskite film was fabricated by a two-step method, of which making PbI 2 :KI alloy was the first step. It achieved a power conversion efficiency of 19.60 % to 21.18 %.

研究领域: 材料科学 · 光伏技术 · 薄膜太阳能电池 · 钙钛矿材料
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

High-rate fabrication of efficient perovskite solar cells via vapor transport deposition and PbI2 microstructure engineering

Tian Zhong,Kun Yu,JiaWei Zhang,Bin Li,Yong Peng

In the perovskite solar cell (PSC) industry, vacuum-based fabrication of PbI 2 and perovskite layers has seen limited utilization due to the inherently slow deposition rates of conventional thermal evaporation or sputtering processes (<1 nm/s). In this work, PbI 2 films were deposited by a vacuum technology known as vapor transport deposition (VTD) at a peak rate of 10 nm/s, and subsequently converted to perovskite through a high-throughput spray step (>15 nm/s). Together, these two rapid processes enable an overall throughput comparable to solution-based methods. However, VTD-grown PbI 2 films display a characteristic island-like morphology, arising from a “gas–particle–film” growth pathway. By adjusting carrier gas temperature and flow rate, the nucleation environment and resultant particle size distribution were effectively controlled, thereby tuning the final film microstructure. Guided by this mechanistic understanding, we achieved a power conversion efficiency (PCE) exceeding 14%, surpassing previously reported VTD-prepared devices. The optimized devices showed moderate stability, retaining 80% of their initial efficiency after 400 h of thermal aging at 60 °C and after 600 h of continuous light soaking in nitrogen.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

Simultaneous excess PbI2 management and promoted band alignment by interface modulation for highly efficient perovskite solar cells

ZhiChao Lin,Xingchong Liu,QianGuang Yin,JunCai Yang,Peng Xiao,Xu Gao,TaoTao Jiang,Haimin Li,Hanyu Wang

Excessive PbI 2 and energy level mismatch can cause severe hysteresis effects and instability in perovskite solar cells. N-(Trifluoroacetyl) glycine (TFAG) was employed in this work as a multifunctional additive to modify the interface between the perovskite layers and the SnO 2 electron transport layer (ETL). The SnO 2 surface's oxygen vacancy defects might be passivated by the carboxyl groups in TFAG efficiently coordinating with Sn 4 + . Ultraviolet photoelectron spectroscopy (UPS) indicated that energy band of SnO 2 shifted to higher level, which was beneficial for promoting band alignment of ETL and perovskite layer. Larger grains and less excess PbI 2 were observed in the modified perovskite films. The Urbach energy dropped, suggesting more ordered grain boundaries and the decrease of the density of defect states. As a result, the hysteresis index decreased from 13.16% to 4.43% and the power conversion efficiency (PCE) of PSCs increased from 20.13% to 22.36% after modification. Furthermore, PSCs with TFAG exhibit superior long-term stability, retaining 88% of their initial PCE after 2250 h of room temperature storage in a nitrogen-filled glove box, as well as 79% of their initial efficiency after 10 days in a dark air environment at room temperature and 50% humidity. This work utilizes amino acid derivatives to effectively reduce excess PbI 2 , improve interfacial contact and promote energy level matching, thereby enabling highly efficient and stable PSCs.

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Nanomaterials · 2020 ·Vol. 10 ·期 5 ·962 · IF 4.324

Interfacial Modification of Mesoporous TiO2 Films with PbI2-Ethanolamine-Dimethyl Sulfoxide Solution for CsPbIBr2 Perovskite Solar Cells

Xianwei Meng,Kailin Chi,Qian Li,Yu Cao,Gengxin Song,Bao Liu,Haibin Yang,Wuyou Fu

As one of the most frequently-used electron-transporting materials, the mesoporous titanium dioxide (m-TiO2) film used in mesoporous structured perovskite solar cells (PSCs) can be employed for the scaffold of the perovskite film and as a pathway for electron transport, and the contact area between the perovskite and m-TiO2directly determines the comprehensive performance of the PSCs. Because of the substandard interface combining quality between the all-inorganic perovskite CsPbIBr2and m-TiO2, the development of the mesoporous structured CsPbIBr2PSCs synthesized by the one-step method is severely limited. Here, we used a solution containing PbI2, monoethanolamine (EA) and dimethyl sulfoxide (DMSO) (PED) as the interfacial modifier to enhance the contact area and modify the m-TiO2/CsPbIBr2contact characteristics. Comparatively, the performance of the solar device based on the PED-modified m-TiO2layer has improved considerably, and its power conversion efficiency is up to 6.39%.Keywords:all-inorganic perovskite;CsPbIBr2;solar cell;mesoporous structure;interfacial modification

CAS / MDL: 67-68-5 75-04-7 141-78-6
研究领域: 材料科学 · 能源科学 · 化学工程
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Journal of Materials Chemistry C · 2025 · IF 5.1

Stable PbI2 -Terminated (001) Facets Drive Low-Defect Anisotropy for High-Performance Charge Transport in MAPbI3 Single Crystals

Dong Liu,Yuxin Li,Dalin Li,Bin Lu,Zheng Guo,Qian Chen,Xiaojing Zhang,Yaxue Wang,Tao He

Although crystallographic engineering of perovskite single crystals offers a promising route to optimize optoelectronic performance, the intrinsic charge transport mechanisms governing facet-dependent anisotropy remain poorly understood. Herein, we resolve this issue through comparative analysis of stoichiometry-controlled MAPbI3 single crystals with dominant (100) and (001) facets. The PbI2-terminated (001) facet achieves enhanced atmospheric stability via oxygen-mediated passivation and reduced hydration susceptibility, contrasting sharply with the air-sensitized MAI-dominated (100) surface. Bulk characterization further identifies 18% higher mechanical hardness and 15% lower trap density in (001)-oriented crystals compared to (100) counterparts. Synergistically, the (001) facet exhibits an 18% elevated ion migration activation energy (0.59 eV) and superior Hall effect mobility (7.3 cm2V-1s-1 at 180 K), surpassing (100) by 1.55 ×. Temperature-dependent field-effect transistors corroborate this anisotropy, yielding a peak mobility of 14.7 cm2V-1s-1 for (001) versus 8.3 cm2V-1s-1 for (100). Our findings establish crystallographic orientation as a pivotal design parameter, with PbI2-terminated (001) facets offering atomic-scale insights for advancing high-efficiency perovskite optoelectronics.

CAS / MDL: 109-86-4 112-04-9
研究领域: 材料科学 · 凝聚态物理 · 半导体物理 · 晶体工程 · 光电子学
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Solar RRL · 2024 · IF 6

Enhancing Organic–Inorganic Perovskite Thin Film Crystallization via Vapor–Solid Reaction by Modifying PbI2 Precursors Films with Pyridinium Trifluoromethanesulfonate

Jialing Zhong,Lixin Zhang,Yuanyuan Chen,Anqi Kong,Qiang Tan,Junshuai Fan,Yong Peng,Guijie Liang,Zhiliang Ku

The vapor–solid reaction technique holds potential for producing large-scale organic–inorganic perovskite films, using a two-step deposition process. The sucess of perovskite formation heavily relies on the crystallization of lead iodide (PbI 2 ) precursor films. However, the high crystallinity of PbI 2 can hinder organic vapors' diffusion and negatively affecting the solar cells by increasing charge recombination and accelerating degradation. To address this, pyridinium trifluoromethanesulfonate (PTFS) is introduced into the PbI 2 precursor solution to control the nucleation and growth of PbI 2 films. PTFS has been found to effectively suppresses PbI 2 crystallization and enhance the integration of formamidinium ion (FA + ) through hydrogen bonding, facilitating the full transformation of PbI 2 into perovskite. It also minimizes defect formation by interacting with uncoordinated Pb 2+ and FA + ions. These modifications have significantly enhanced power conversion efficiency (PCE), reaching up to 21.19%, and the devices have maintained 93% of their initial performance after 1580 h of exposure to air.

CAS / MDL: 52193-54-1
研究领域: 材料科学 · 光伏技术
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THIN SOLID FILMS · 2019 · IF 1.888

Fabrication and characterization of perovskite CH3NH3PbI3 films via two-step sol-gel process: Impact of soaking time of PbI2

Hui Gao,Xue Meng,Yongli Du,Xiaoyong Gao

Perovskite MAPbI 3 (MA = methylammonium, CH 3 NH 3 ) films and solar cells have thoroughly been studied in recently years. However, the formation mechanism of MAPbI 3 in the two-step sol-gel process is not reported and not well understood yet. Thus in this work, the cubic perovskite MAPbI 3 films with preferred 〈110〉 orientation were fabricated on the glass substrates via the two-step sol-gel process. Impact of soaking time (t soaking ) of PbI 2 in MAI in isopropyl alcohol (IPA) solution was thoroughly studied on the microstructure and the optical properties of the MAPbI 3 films. The formation mechanism of MAPbI 3 in the two-step sol-gel process was in particular proposed. The blue and red shifts of the absorption edge of the films with increase of t soaking are attributed to the improved crystallization and to the weakened surface effect of the grains, respectively. An intermediate metal-organic frameworks (MOF) structure of PbI 2 :MAI:IPA is formed during the soaking due to Pb weakly coordinating with IPA organic molecules. The unstable MOF structure is collapsed during the following annealing, and PbI 2 and ions I − from the hydrolyzed MAI form the stable PbI 6 4− cubic frame. Ions (MA) + diffuse to the interstice positions in the cubic frame structure under the electrostatic force, thus producing the ultimate MAPbI 3 .

研究领域: 材料科学 · 光伏技术 · 薄膜制备 · 溶胶-凝胶工艺 · 钙钛矿太阳能电池
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Nano Energy · 2023 · IF 17.6

Unraveling segregation behavior of inactive secondary phase driven by ion-competition reaction for perovskite-2D PbI2 heterojunction solar cells

Yajie Cheng,Junjie Ma,Huaiqing Luo,Meng Cai,Tangyue Xue,Guanghui Yu,Ziqiu Ren,Yanlin Song,Shou Peng,Yiqiang Zhang

The undesired segregation of inactive secondary phase that randomly distributed across the perovskite film is detrimental to charge-carrier transport dynamics and light stability. However, in-depth studies for understanding the underlying chemical reaction mechanism and the relationship between phase structural configuration and physical properties are still lacking. Herein, the segregation behavior of the inactive secondary phase and the underlying microcosmic mechanism regarding ionic chemical replacement reaction and lattice reconfiguration process are systematically elaborated. A high-quality perovskite-PbI 2 heterojunction film is constructed via converting the three-dimensional PbI 2 photoactive phase into a two-dimensional inactive phase, alleviating the energetic disorder of carrier dynamics and photochemical dissociation. The resultant perovskite solar cells achieve an efficiency of 24.23% with excellent light-resistance. The dissociation energetics of phase dimensional structure is theoretically analyzed. This work provides new insights into crystal structure design for constructing high-quality perovskite heterojunction devices.

CAS / MDL: 67-63-0
研究领域: 材料科学 · 物理化学
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Nano Energy · 2026 · IF 16.7

Controlled phase transformation and purification of spent lead acid batteries into electronic-grade PbI2 for all-perovskite tandem solar cells

Zhaoyang Li,Zifan Lin,Guang Hu,Shifa Zhou,Sha Liang,Ciyu Ge,Qi Xu,Haojun Hu,Xin Li,Huabo Duan,Lu Peng,Shushan Yuan,Hongjie Zhou,Chao Chen,Ling Xu,Jinhui Tong,Jiang Tang,Jiakuan Yang

Industrial spent lead paste is upcycled into electronic-grade PbI 2 . • Phase convergence enables selective Pb leaching while retaining impurities. • Kilogram-scale processing achieves 95.12% overall Pb recovery and 99.9925% purity. • Upcycled PbI 2 enables 20.51% wide-bandgap and 28.65% tandem efficiencies. • Life-cycle and techno-economic analyses show environmental and economic gains. Upcycling spent lead-acid batteries into photovoltaic precursors offers a route to couple mature batteries recycling infrastructure with the growing material demand of perovskite photovoltaics. Here, we develop an upcycling strategy that converts industrial spent lead paste into electronic-grade PbI 2 for all-perovskite tandem solar cells. The process transforms chemically heterogeneous PbSO 4 , PbO 2 , PbO and metallic Pb into a uniform PbO intermediate, followed by pH controlled acetic acid leaching that selectively dissolves Pb 2 + while retaining major impurity components in the solid residues. Subsequent iodide precipitation yields PbI 2 with a measured purity of 99.9925%. Kilogram-scale production achieves an overall Pb recovery of 95.12%, demonstrating that the reaction selectivity and product quality can be retained during scale-up. Compared with low-purity recycled PbI 2 , the purified product improves precursor solubility, film morphology and carrier lifetime, enabling a wide-bandgap perovskite solar cell efficiency of 20.51%. The recycled PbI 2 enables all-perovskite tandem solar cells with an efficiency of 28.65%. Combined life-cycle and techno-economic analyses demonstrate that this strategy offers a practical route for transforming industrial battery waste into photovoltaic materials. Download: Download high-res image (149KB) Download: Download full-size image

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Materials Chemistry Frontiers · 2023 ·Vol. 7 ·期 19 ·4497-4507 · IF 7

An interdiffusion-controlled nucleation strategy for efficient sequential deposition of perovskite photovoltaics

Chenglin Wang,Zuolin Zhang,Xuefan Zhao,Yunfei Zhu,Mengjia Li,Jike Ding,Cong Chen

The sequential deposition route is widely investigated in fabricating perovskite thin films for state-of-the-art perovskite photovoltaics. However, concerns such as lower morphological control, phase purity, and remnant unreacted salts such as methylammonium iodide (MAI) and PbI2 are raised, which can significantly deteriorate the optoelectronic properties and hence the operational durability of the devices. In this work, we developed a new interdiffusion-controlled nucleation (ICN) strategy by introducing sulfamic acid agents to improve the sequential deposition of perovskite crystals, achieving low defect density and high-quality perovskite films. Precisely, the ICN strategy can be used to tune the dense PbI2 films into a porous morphology, which promoted the adequate conversion of perovskite and reduced the residual PbI2. Owing to the enhanced crystallization of the perovskite films and passivated surface defects, we obtained a summit PCE exceeding 23% for perovskite solar cells and achieved responsivity values of up to 0.49 A W−1 with linear dynamic ranges of up to 136.75 dB for perovskite photodetectors. The ICN strategy provides a simple and effective way to improve the performance of perovskite-based photovoltaic devices.

CAS / MDL: 3978-81-2
研究领域: 材料科学 · 光伏技术 · 半导体物理
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ORGANIC ELECTRONICS · 2022 · IF 3.868

Low temperature-processed stable and high-efficiency carbon-based CsPbI2Br perovskite solar cells by additive strategy

Xinyu Xu,Wancheng Qin,Shanjing Liu,Chuwu Xing,Guanming Ge,Duofa Wang,Tianjin Zhang

All-inorganic perovskite solar cells require high-temperature preparation processes, which severely hinders their further commercial development. Inorganic perovskite materials have a high crystallization barrier, so the crystallinity is poor under low temperature conditions, resulting in poor device performance. Therefore, it is an important challenge to develop an excellent low-temperature preparation process. In this paper, the crystallization kinetics of the CsPbI 2 Br perovskite film under low temperature conditions was studied, and it was found that the perovskite was not completely crystallized during low temperature crystallization , and PbI 2 remained. The PbI 2 residue not only caused the appearance of lead defects but also formed insoluble CsBr due to the insufficient reaction of the raw materials. Through the interaction between the organic molecules 3-Amino-3-(3-pyridyl)propionic Acid (PA) and PbI 2 , the crystallization reaction process can be effectively improved. Eliminating the residual PbI 2 also effectively inhibited the precipitation of CsBr, thereby significantly improved the crystallinity of CsPbI 2 Br. Efficiencies of 10.95% are achieved for low-temperature-processed CsPbI 2 Br planar-architecture FTO/SnO 2 /CsPbI 2 Br/carbon, and the obtained device also showed good stability in the air.

研究领域: 材料科学 · 太阳能 · 纳米技术 · 化学工程
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