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Keywords = hybrid halide perovskite

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22 pages, 4356 KB  
Review
Ion Migration in Two-Dimensional Organic–Inorganic Hybrid Perovskite Heterostructures: Interface Evolution, Migration Mechanisms and Device Implications
by Zhendong Weng, Junxiong Liu, Kexin Liu, Yingjie Zhou, Yaqi Zhang, Muzi Yang, Jian Chen and Weiguang Xie
Nanomaterials 2026, 16(11), 696; https://doi.org/10.3390/nano16110696 - 3 Jun 2026
Abstract
Two-dimensional organic–inorganic hybrid perovskite (2D-OIHP) heterostructures provide a versatile platform for crystal engineering because their composition, dimensionality, excitonic structure and interfacial energy alignment can be tuned at the molecular level. However, the same ionic softness that enables facile chemical transformation also leads to [...] Read more.
Two-dimensional organic–inorganic hybrid perovskite (2D-OIHP) heterostructures provide a versatile platform for crystal engineering because their composition, dimensionality, excitonic structure and interfacial energy alignment can be tuned at the molecular level. However, the same ionic softness that enables facile chemical transformation also leads to ion migration under thermal, electrical and optical stimuli. In 2D-OIHP heterostructures, ion migration is not only a degradation pathway; it determines whether a heterointerface remains sharp, becomes compositionally graded, evolves into a mixed-halide alloy, or forms a bias-programmed functional junction. This review summarizes recent progress in understanding ion migration in 2D-OIHP-based heterostructures, with emphasis on migration species, driving forces, pathways and interface evolution. We first classify representative fabrication strategies according to the initial interface profiles they generate. We then discuss thermally driven in-plane and out-of-plane halide migration, spacer-cation engineering for suppressing interdiffusion, and electric-field-induced directional migration in functional devices. Finally, we extract design rules and unresolved challenges for achieving stable, sharp or dynamically programmable perovskite heterostructures. The aim is to provide a mechanistic framework for using ion migration as both a stability criterion and a crystal-engineering tool in layered hybrid perovskites. Full article
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56 pages, 15811 KB  
Review
Thin-Film Solar Cells for Solar Thermal Cooling, Heating, and Energy Storage Systems: Materials, Manufacturing, and Emerging Applications
by Sunzid Hassan, Sabbir Alom Shuvo, Jarif Ul Alam, Nafiya Islam, Md Faiaz Al Islam, Yead Rahman, Iftesam Nabi, Fatima Yeasmin, Md Ashfaq Siddiquee, Ahsanul Alam Kabhi, Mehrab Hosain and M Shafiqur Rahman
Energies 2026, 19(11), 2684; https://doi.org/10.3390/en19112684 - 2 Jun 2026
Viewed by 155
Abstract
Thin-film solar cells (TFSCs) remain a cornerstone of the global transition toward renewable energy, characterized by consistent reductions in manufacturing costs and steady gains in power conversion efficiency. In addition to electricity generation, TFSCs play an important role in advanced solar thermal cooling, [...] Read more.
Thin-film solar cells (TFSCs) remain a cornerstone of the global transition toward renewable energy, characterized by consistent reductions in manufacturing costs and steady gains in power conversion efficiency. In addition to electricity generation, TFSCs play an important role in advanced solar thermal cooling, heating, and energy storage systems, where their tunable optical absorption, low thermal mass, and flexibility enable integration with photovoltaic–thermal (PV/T) collectors, thermally driven cooling cycles, and hybrid thermal–electrical storage architectures. This paper provides a comprehensive review of prominent TFSC technologies, including copper indium gallium selenide (CIGS), cadmium telluride (CdTe/CdS), amorphous silicon (a-Si), copper zinc tin sulfide (CZTS), organic photovoltaics (OPVs), and metal halide perovskite solar cells (PSCs), with a focus on their material structures, performance specifications, and current efficiency benchmarks. Compared to state-of-the-art reviews, this article distinguishes itself by addressing next-generation innovations, cross-domain solar thermal–photovoltaic applications, and economic analysis. Specifically, the integration of machine learning and simulation-based material dynamics is examined to accelerate material discovery, process optimization, and the characterization of novel TFPV components relevant to coupled thermal–electrical energy systems. Furthermore, the study explores how additive manufacturing is transforming the industry through the development of high-efficiency electrodes, electrohydrodynamic atomization for thin-film deposition, and the fabrication of flexible solar arrays suitable for thermally integrated and building-scale energy systems, including space applications. By integrating advancements in module efficiency, scalable manufacturing approaches, and techno-economic analysis, this paper positions TFSCs as sustainable, resource-abundant technologies essential for next-generation solar thermal cooling, heating, and energy storage infrastructures. Full article
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13 pages, 2259 KB  
Article
Halide Site Engineering of Organic–Inorganic Hybrid Perovskites: A Facile Strategy for Frequency-Controllable Microwave Absorption
by Jinhuai Zhou, Zhi Zhang, Yao Yao, Fei Wang, Hanmin Wu, Mengjie Shi and Wenke Zhou
Micromachines 2026, 17(5), 628; https://doi.org/10.3390/mi17050628 - 20 May 2026
Viewed by 303
Abstract
High-performance electromagnetic wave absorption materials are desperately needed due to the growing serious electromagnetic interference and pollution issues brought on by the quick growth of modern electronic technology and wireless communication. This work uses the organic–inorganic hybrid perovskite MAPbBrxI3−x as [...] Read more.
High-performance electromagnetic wave absorption materials are desperately needed due to the growing serious electromagnetic interference and pollution issues brought on by the quick growth of modern electronic technology and wireless communication. This work uses the organic–inorganic hybrid perovskite MAPbBrxI3−x as a model system to address the problem of restricted loss mechanisms and the challenges in changing the absorption bandwidth of single-component wave-absorbing materials. It achieves systematic tuning of electromagnetic wave absorption performance, especially within the effective working frequency spectrum, through accurate halogen site engineering. According to the study, MAPbI3 (MPI), MAPbBr1.5I1.5 (MPIB), and MAPbBr3 (MPB), which were synthesized using the anti-solvent approach, all demonstrated exceptional microwave absorption capability, with maximum reflection loss values exceeding −37 dB, among which MPB achieves a remarkable value of −42.41 dB at 16.60 GHz. More significantly, this work shows a distinct structure-property relationship between the effective absorption peak frequency range of this series of materials and their band structure: the strongest absorption peak shows a regular blue shift as the material bandgap widens and the bromine content rises. This finding suggests that focused tailoring of the operating frequency band in wave-absorbing materials can be achieved by manipulating the band structure of perovskites by varying the halogen concentration. In addition to confirming the significant application potential of organic–inorganic hybrid perovskites in the field of microwave absorption, this study offers a novel research perspective and material template for precisely and programmably controlling the absorption frequency band of wave-absorbing materials based on their basic electronic structures. Full article
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12 pages, 1394 KB  
Article
2D Ruddlesden-Popper Perovskite (C6H5NH3)2CsPb2Cl7 with Favorable Radiative Recombination and Field-Effect Transport
by Zhe Pang, Yuxuan Wang, Chong Peng, Yingfei Liu, Jiaqian Que, Kefeiyang Hu, Xingbo Huang and Yong Liu
Materials 2026, 19(10), 1991; https://doi.org/10.3390/ma19101991 - 11 May 2026
Viewed by 263
Abstract
Organic–inorganic hybrid halide perovskites have attracted extensive attention due to their excellent optoelectronic properties and potential applications in field-effect transistors (FET), light-emitting diodes (LEDs), and photodetectors. However, conventional three-dimensional (3D) perovskites are limited by intrinsic instability and ion migration. Two-dimensional Ruddlesden-Popper (2D RP) [...] Read more.
Organic–inorganic hybrid halide perovskites have attracted extensive attention due to their excellent optoelectronic properties and potential applications in field-effect transistors (FET), light-emitting diodes (LEDs), and photodetectors. However, conventional three-dimensional (3D) perovskites are limited by intrinsic instability and ion migration. Two-dimensional Ruddlesden-Popper (2D RP) perovskites offer improved structural stability, but many systems still suffer from modest photoluminescence efficiency and limited charge-transport performance. In this work, a novel 2D RP perovskite, (C6H5NH3)2CsPb2Cl7, was designed and synthesized, where the anilinium ion (C6H5NH3+) serves as the organic spacer. Structural characterization indicates that the material possesses high crystallinity and a smooth surface morphology. Optical measurements reveal a violet emission peak at 411 nm with a single-peak feature and a full width at half maximum (FWHM) of 10 nm. The bandgap is determined to be 3.1 eV. Time-resolved photoluminescence (TRPL) measurements show an average lifetime of 4 ns, and the photoluminescence quantum yield (PLQY) is 29.8%. Based on the measured PLQY and lifetime, the radiative and non-radiative recombination rates were estimated to be Kr ≈ 7.45 × 107 s−1 and Knr ≈ 1.76 × 108 s−1, respectively, suggesting that radiative recombination is appreciable although non-radiative pathways remain present. FET measurements demonstrate an on/off current ratio of 104 and a carrier mobility of 1.1 cm2 V−1 s−1. Without any systematic optimization, (C6H5NH3)2CsPb2Cl7 exhibits relatively favorable emissive behavior and measurable field-effect charge transport performance when compared with structurally similar 2D RP perovskites reported under comparable, non-optimized conditions. This study expands the family of chloride-based 2D perovskites and provides a basis for future improvements in their recombination and field-effect transport properties. Full article
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22 pages, 7528 KB  
Article
Impact of Structural Dimensionality on the Optoelectronic Behavior of Lead–Halide Perovskites
by Hamida Gouadria, Jesús Álvarez and María José Capitán
Materials 2026, 19(10), 1990; https://doi.org/10.3390/ma19101990 - 11 May 2026
Viewed by 272
Abstract
This study investigates how structural dimensionality affects the optoelectronic behavior of organic lead–halide hybrid perovskites. Using the chiral cation R-1-phenylethylammonium (PEA), which is known to be able to form both one-dimensional (1D) and two-dimensional (2D) lead–iodide frameworks, we synthesize 1D [...] Read more.
This study investigates how structural dimensionality affects the optoelectronic behavior of organic lead–halide hybrid perovskites. Using the chiral cation R-1-phenylethylammonium (PEA), which is known to be able to form both one-dimensional (1D) and two-dimensional (2D) lead–iodide frameworks, we synthesize 1D (PEA)PbI3 and 2D (PEA)2PbI4 compounds through tailored crystallization and deposition routes. X ray diffraction confirms structural purity, while ultraviolet photoelectron spectroscopy (UPS) provides insight into the electronic structure and photoresponse. Both materials exhibit a surface photo-voltage (SPV) under visible illumination, reaching a maximum work function shift of 1.5 eV for the 2D phase and 0.4 eV for the 1D phase in the thin-film samples. These results suggest that the 1D phase exhibits a reduced tendency for iodide-vacancy formation, which may result in a more stable response under visible illumination, accompanied by faster relaxation dynamics and more anisotropic charge transport. Overall, our findings highlight the central role of electronic confinement in shaping photoinduced processes in hybrid perovskites and support the consideration of structural dimensionality as a key design parameter for the design of next-generation optoelectronic materials. Full article
(This article belongs to the Special Issue Advancements in Perovskite Solar Cells for Improved Energy Efficiency)
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7 pages, 1763 KB  
Proceeding Paper
Bi-Based Perovskite Materials for High-Sensitivity Gamma Ray Detection
by Paramesh Chandra and Swapan K. Mandal
Mater. Proc. 2025, 26(1), 13; https://doi.org/10.3390/materproc2025026013 - 2 Mar 2026
Viewed by 614
Abstract
We present here a brief report on gamma-ray sensing and detection by a bismuth-based hybrid halide perovskite material. Lead-free perovskites have emerged as a promising candidate for gamma-ray detection due to their high atomic number, tunable optoelectronic properties, and cost-effective synthesis. This study [...] Read more.
We present here a brief report on gamma-ray sensing and detection by a bismuth-based hybrid halide perovskite material. Lead-free perovskites have emerged as a promising candidate for gamma-ray detection due to their high atomic number, tunable optoelectronic properties, and cost-effective synthesis. This study investigates the morphological, optical, and gamma-ray radiation detection properties of (CH3NH3)3Bi2Cl9 (MABiCl) perovskite material. UV-Vis spectroscopy reveals a bandgap of ~2.4 eV, which is suitable for efficient charge carrier generation upon gamma-ray exposure. Current vs. time measurements under gamma-ray irradiation from various sources (60Co, 137Cs, and 22Na) exhibit a rapid and reproducible photo response, with high sensitivity and low noise, indicating effective charge collection and detection efficiency. The material’s response to gamma rays shows a linear correlation between current output and radiation dose, highlighting its potential for quantitative detection applications. These findings suggest that Bi-based perovskite material possesses favorable properties for gamma-ray detection, including structural robustness, suitable optical characteristics, and reliable radiation response. Further optimization of material composition and device fabrication could enhance detection efficiency and scalability, paving the way for practical applications in medical imaging, nuclear security, and radiation monitoring. This work highlights the potential of Bi-based perovskites as a next-generation material for high-performance, cost-effective gamma ray detectors. Full article
(This article belongs to the Proceedings of The 4th International Online Conference on Materials)
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13 pages, 1524 KB  
Article
First-Principles Study of Two-Dimensional A2SnI4 (A = MA, DMA, GUA) Ruddlesden–Popper Perovskites
by Baseerat Bibi, Zahra Karimi, Syed Hatim Shah, Fan Shen, Najm Us Sama, Linlin Guan, Jingjing Zhang, Jiale Lin and Zhu Liu
Inorganics 2026, 14(3), 73; https://doi.org/10.3390/inorganics14030073 - 28 Feb 2026
Cited by 1 | Viewed by 731
Abstract
Two-dimensional (2D) Ruddlesden–Popper (RP) tin halide perovskites have attracted considerable attention as lead-free photovoltaic absorbers; however, the impact of organic A-site cations on their structure and pressure-dependent optoelectronic behavior remains underexplored. In this study, density functional theory (DFT) is used to investigate the [...] Read more.
Two-dimensional (2D) Ruddlesden–Popper (RP) tin halide perovskites have attracted considerable attention as lead-free photovoltaic absorbers; however, the impact of organic A-site cations on their structure and pressure-dependent optoelectronic behavior remains underexplored. In this study, density functional theory (DFT) is used to investigate the structural, electronic, and optical properties of A2SnI4 (A = GUA+, DMA+, MA+) under ambient conditions and under hydrostatic pressure. All three compounds adopt layered frameworks in which the organic cations occupy the interlayer region, while SnI6 octahedra form the inorganic slabs. Band-gap calculations are performed using HSE06 for ambient pressure, known for its accuracy in electronic structure predictions, and PBE for pressure simulations, due to its computational efficiency in large-scale systems. At ambient pressure, Hybrid-functional (HSE06) calculations indicate that all three materials are direct-gap semiconductors, with band gaps of 2.25 eV for MA2SnI4, 2.98 eV for DMA2SnI4, and 2.85 eV for GUA2SnI4. Under hydrostatic compression, DMA2SnI4 shows comparatively modest band-gap variation and saturates near 1.7 eV. In contrast, GUA2SnI4 and MA2SnI4 exhibit pronounced band-gap narrowing, including a pressure-induced direct-to-indirect transition near 2 GPa, with band gaps decreasing to 0.59 eV (GUA2SnI4) and 0.34 eV (MA2SnI4) at elevated pressures. Overall, these findings highlight that A-site chemistry, combined with hydrostatic pressure, enables tuning the electronic and optical responses in tin-based 2D RP perovskites, demonstrating their promise as tunable, lead-free photovoltaic absorbers. Full article
(This article belongs to the Section Inorganic Materials)
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12 pages, 2761 KB  
Article
Enhancing Wide-Bandgap Triple-Halide Perovskites for Tandem Solar Cells by 0.5% Formate and Zn(II) Doping
by Le-Ting Wang, Mary al Moubayed and René M. Williams
Molecules 2026, 31(4), 625; https://doi.org/10.3390/molecules31040625 - 11 Feb 2026
Viewed by 1359
Abstract
The intrinsic properties of wide-bandgap, triple-cation, triple-halide perovskites, like (Cs0.21FA0.74MA0.05)Pb(I0.81Br0.14Cl0.05)3, can be improved by simultaneous doping with zinc cations (0.5%) as well as formate anions (0.5%). Photoluminescence quantum yields [...] Read more.
The intrinsic properties of wide-bandgap, triple-cation, triple-halide perovskites, like (Cs0.21FA0.74MA0.05)Pb(I0.81Br0.14Cl0.05)3, can be improved by simultaneous doping with zinc cations (0.5%) as well as formate anions (0.5%). Photoluminescence quantum yields (up to 14% on quartz), as well as photoluminescence lifetimes (up to ~7 µs on quartz), indicate improved optical properties. Based on photoluminescent properties, the optimal total doping concentration of zinc ions (Zn(II)) and formate anions (Fo) is determined to be 1% relative to Pb(II). Full article
(This article belongs to the Special Issue Metal–Halide Perovskites for Solar Cell and LED Materials)
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10 pages, 2349 KB  
Article
Long Period Grating Modified with Quasi-2D Perovskite/PAN Hybrid Nanofibers for Relative Humidity Measurement
by Dingyi Feng, Changjiang Zhang, Syed Irshad Haider, Jing Tian, Jiandong Wu, Fu Liu and Biqiang Jiang
Nanomaterials 2026, 16(2), 99; https://doi.org/10.3390/nano16020099 - 12 Jan 2026
Cited by 2 | Viewed by 592 | Correction
Abstract
Metal halide perovskites have emerged as promising photoactive materials for highly efficient photodetectors; however, the inherent instability of perovskite materials in oxygen and moisture limits their practical applications. In this study, the highly moisture-sensitive characteristics of the quasi-2D perovskite nanocrystals were used to [...] Read more.
Metal halide perovskites have emerged as promising photoactive materials for highly efficient photodetectors; however, the inherent instability of perovskite materials in oxygen and moisture limits their practical applications. In this study, the highly moisture-sensitive characteristics of the quasi-2D perovskite nanocrystals were used to fabricate a long-period grating (LPG) humidity sensor based on the perovskite/polyacrylonitrile (PAN) hybrid nanofibers film. The pure-bromide quasi-2D perovskite nanocrystals were in situ synthesized and encapsulated in the PAN matrix on the fiber grating via an electrospinning technique. Humidity-induced variation in the complex permittivity of perovskites can alter the evanescent field of the co-propagating cladding modes, resulting in changes in both resonant amplitude and wavelength in the transmission spectrum of the LPG. These effects yielded an intensity sensitivity of ~0.21 dB/%RH and a wavelength sensitivity of ~18.2 pm/%RH, respectively, in the relative humidity range of 50–80%RH. The proposed LPG sensor demonstrated a good performance, indicating its potential application in the humidity-sensing field. Full article
(This article belongs to the Special Issue Nanomaterials for Optical Fiber Sensing)
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14 pages, 2193 KB  
Article
Unraveling Electron-Matter Dynamics in Halide Perovskites Through Monte Carlo Insights into Energy Deposition and Radiation Effects in MAPbI3
by Ivan E. Novoselov and Ivan S. Zhidkov
J. Nucl. Eng. 2025, 6(4), 55; https://doi.org/10.3390/jne6040055 - 10 Dec 2025
Viewed by 787
Abstract
Lead halide perovskites, exemplified by methylammonium (MA) lead iodide (MAPbI3), combine strong optical absorption, long carrier diffusion lengths, and defect-tolerant electronic structure with facile processing, making them attractive for photovoltaics and radiation detection. Yet, their behavior under electron irradiation remains insufficiently [...] Read more.
Lead halide perovskites, exemplified by methylammonium (MA) lead iodide (MAPbI3), combine strong optical absorption, long carrier diffusion lengths, and defect-tolerant electronic structure with facile processing, making them attractive for photovoltaics and radiation detection. Yet, their behavior under electron irradiation remains insufficiently understood, limiting deployment in space and dosimetry contexts. Here, we employ Monte Carlo simulations (Geant4) to model electron interactions with MAPbI3 across energies from 0.1 to 100 MeV and absorber thicknesses from 10 μm to 1 cm. We quantify deposited energy, event statistics, energy per interaction, non-ionizing energy loss, and dominant radiation effects. The results reveal strong thickness-dependent regimes: thin photovoltaic-type layers (~hundreds of nanometers) are largely transparent to MeV electrons, minimizing bulk damage but allowing localized ionization, exciton self-trapping, and photoexcitation-driven ion migration. Although localized excitations can temporarily improve carrier collection under short-term exposure, their cumulative effect drives ionic rearrangement and defect growth, ultimately reducing device stability. In contrast, thicker detector-type films (10–100 μm) sustain multiple scattering and ionization cascades, enhancing sensitivity but accelerating defect accumulation. At centimeter scales, energy deposition saturates, enabling bulk-like absorption for high-flux dosimetry. Overall, electron irradiation in MAPbI3 is dominated by electronic excitation rather than ballistic displacements, underscoring the need to optimize thickness and composition to balance efficiency, sensitivity, and durability. Full article
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20 pages, 2955 KB  
Article
Design and Simulation of Thermally Stable Lead-Free BaHfSe3 Perovskite Solar Cells: Role of Interface Barrier Height and Temperature
by Moumita Mahanti, Sutirtha Mukherjee, Naoto Shirahata and Batu Ghosh
Eng 2025, 6(12), 345; https://doi.org/10.3390/eng6120345 - 1 Dec 2025
Cited by 1 | Viewed by 1070
Abstract
Lead-free chalcogenide perovskites are emerging as promising alternatives to hybrid halide perovskites due to their superior thermal stability, non-toxicity, and strong optical absorption. In this study, the photovoltaic performance of single-junction BaHfSe3-based perovskite solar cells (PSCs) with the TCO/TiO2/BaHfSe [...] Read more.
Lead-free chalcogenide perovskites are emerging as promising alternatives to hybrid halide perovskites due to their superior thermal stability, non-toxicity, and strong optical absorption. In this study, the photovoltaic performance of single-junction BaHfSe3-based perovskite solar cells (PSCs) with the TCO/TiO2/BaHfSe3/Cu2O/Au configuration is systematically investigated using SCAPS-1D simulations. Device optimization identifies TiO2 and Cu2O as suitable ETL and HTL materials, respectively. The optimized structure—TCO/TiO2 (50 nm)/BaHfSe3 (500 nm)/Cu2O (100 nm)/Au—achieves a power conversion efficiency (PCE) of 24.47% under standard conditions. Simulation results reveal that device efficiency is influenced by absorber thickness and trap density. A detailed temperature-dependent study highlights that photovoltaic parameter efficiency is governed by the barrier alignment at the TCO/ETL interface. For lower TCO (Transparent Conducting Oxide) work functions (3.97–4.07 eV), PCE decreases monotonically with temperature, attributed to the increase in reverse saturation current resulting from a higher intrinsic carrier concentration. By contrast, higher TCO work functions (4.47–4.8 eV) yield an initial increase in efficiency with temperature, driven by reduced barrier height and favorable Fermi level shifts before efficiency declines at further elevated temperatures. These insights underscore the promise of BaHfSe3 as a lead-free, environmentally robust perovskite absorber for next-generation PSCs, and highlight the critical importance of interface engineering for achieving optimal thermal and operational performance. Full article
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13 pages, 2722 KB  
Article
2D Organic–Inorganic Halide Perovskites for Hybrid Heterostructures: Single Crystals, Thin Films and Exfoliated Flakes
by Fabrizio Ciccarelli, Mario Barra, Antonio Carella, Gabriella Maria De Luca, Felice Gesuele and Fabio Chiarella
Crystals 2025, 15(12), 1024; https://doi.org/10.3390/cryst15121024 - 29 Nov 2025
Viewed by 961
Abstract
Rapid progress on the fabrication of lead halide perovskite has led to the development of high performance optoelectronic devices, particularly in the field of solar cell technologies. This initial success has subsequently inspired investigations into layered 2D-halide perovskite structures, motivated in part by [...] Read more.
Rapid progress on the fabrication of lead halide perovskite has led to the development of high performance optoelectronic devices, particularly in the field of solar cell technologies. This initial success has subsequently inspired investigations into layered 2D-halide perovskite structures, motivated in part by their good environmental stability, but more significantly by their intriguing fundamental photo-physics. They have recently been used to improve the photoresponsivity of monolayer transition metal dichalcogenides in hybrid heterostructures. In this paper, we report on the synthesis of the (PEA)2(MA)n−1PbnI3n+1 series (with n = 1, 2, 3) of 2D-halide perovskites, in order to develop a platform that provides ultra-thin layers for the fabrication of hybrid heterostructures. The crystal synthesis method and its basic structural and optical characterization are shown, highlighting the differences in the crystal synthesis processes. Furthermore, we explore the preparation of 2D halide perovskite ultra-thin flakes using the mechanical exfoliation method, and few-layer-areas of n = 1 member of the series are identified using atomic force microscopy. Finally, we study the deposition of thin and ultra-thin films using the spin coating technique to provide an alternative process to the exfoliation. Full article
(This article belongs to the Section Hybrid and Composite Crystalline Materials)
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10 pages, 1697 KB  
Article
Persistent PbI2-Passivated Microdomains in As-Prepared MAPbI3 Perovskite Thin Film Revealed by Spatially Resolved Photoluminescence and Raman Maps
by Bong-Geun Kim, Jiwon Choi, Taeji Seo, Hyun Sung Kim, Minseok Kwak, Joonkyung Jang, Songyi Lee and Myeongkee Park
Crystals 2025, 15(11), 991; https://doi.org/10.3390/cryst15110991 - 17 Nov 2025
Viewed by 1129
Abstract
Methylammonium lead iodide (MAPbI3) perovskite has been widely studied for its optoelectronic properties, but its polycrystalline thin films inevitably contain grain boundaries and defects that degrade performance and stability. PbI2 is often considered a destabilizing agent in perovskites, yet it [...] Read more.
Methylammonium lead iodide (MAPbI3) perovskite has been widely studied for its optoelectronic properties, but its polycrystalline thin films inevitably contain grain boundaries and defects that degrade performance and stability. PbI2 is often considered a destabilizing agent in perovskites, yet it has also been reported to act as a passivation agent, making its role a subject of debate. Here, we performed integrated optical, photoluminescence (PL), and ultra-low-frequency Raman mapping on a 100 μm2 region of MAPbI3 thin films to study the roles of PbI2. The analyses resolved α-phase MAPbI3-rich, PbI2-rich, and mixed-phase domains, revealing heterogeneous PbI2 distribution with PL quenching at defect sites. In addition, after light-induced degradation, PL changes were governed by both the local microstructure and PbI2 distribution. Notably, PbI2-rich regions retained PL, evidencing a protective passivation effect. These findings demonstrate that the beneficial role of PbI2 is key to designing more stable perovskite devices. Full article
(This article belongs to the Section Hybrid and Composite Crystalline Materials)
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30 pages, 5289 KB  
Article
Unveiling the Hidden Cascade: Secondary Particle Generation in Hybrid Halide Perovskites Under Space-Relevant Ionizing Radiation
by Ivan E. Novoselov, Seif O. Cholakh and Ivan S. Zhidkov
Aerospace 2025, 12(11), 1015; https://doi.org/10.3390/aerospace12111015 - 14 Nov 2025
Cited by 2 | Viewed by 836
Abstract
Hybrid halide perovskites are promising materials for optoelectronics and space applications due to their excellent light absorption, high efficiency, and light weight. However, their stability under radiation exposure remains a key challenge, especially in space environments, where high-energy particles can cause significant damage. [...] Read more.
Hybrid halide perovskites are promising materials for optoelectronics and space applications due to their excellent light absorption, high efficiency, and light weight. However, their stability under radiation exposure remains a key challenge, especially in space environments, where high-energy particles can cause significant damage. Here, we present the effects of primary and secondary radiation on perovskite materials, using Monte-Carlo simulations with the GEANT4 toolkit. The interactions of protons, electrons, neutrons, and γ-rays with APbI3 (A = Ma, FA, Cs) perovskites under space-relevant conditions typical for low Earth orbit (LEO) were studied. The results show that different perovskite compositions respond uniquely to radiation: CsPbI3 generates higher-energy secondary positrons, neutrons, and protons, while MAPbI3 produces more secondary electrons under proton irradiation. Mixed-cation perovskites exhibit narrower energy distributions for secondary γ-rays, indicating material-dependent differences in radiation tolerance. These findings suggest the potential role of secondary particle generation in perovskite degradation, based on our simulations, and they emphasize the need for comprehensive modeling to improve the radiation resistance of perovskite-based technologies for space applications. Future studies should consider contributions from encapsulating materials in device structures. Full article
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37 pages, 5698 KB  
Article
Design and Optimization of Self-Powered Photodetector Using Lead-Free Halide Perovskite Ba3SbI3: Insights from DFT and SCAPS-1D
by Salah Abdo, Ambali Alade Odebowale, Amer Abdulghani, Khalil As’ham, Yacine Djalab, Nicholas Kanizaj and Andrey E. Miroshnichenko
Nanomaterials 2025, 15(21), 1656; https://doi.org/10.3390/nano15211656 - 30 Oct 2025
Cited by 5 | Viewed by 2489
Abstract
All-inorganic halide perovskites have attracted significant interest in photodetector applications due to their remarkable photoresponse properties. However, the toxicity and instability of lead-based perovskites hinder their commercialization. In this work, we propose cubic Ba3SbI3 as a promising, environmentally friendly, lead-free [...] Read more.
All-inorganic halide perovskites have attracted significant interest in photodetector applications due to their remarkable photoresponse properties. However, the toxicity and instability of lead-based perovskites hinder their commercialization. In this work, we propose cubic Ba3SbI3 as a promising, environmentally friendly, lead-free material for next-generation photodetector applications. Ba3SbI3 shows good light absorption, low effective masses, and favorable elemental abundance and cost, making it a promising candidate compound for device applications. Its structural, mechanical, electronic, and optical properties were systematically investigated using density functional theory (DFT) with the Perdew–Burke–Ernzerhof (PBE) and hybrid HSE06 functionals. The material was found to be dynamically and mechanically stable, with a direct bandgap of 0.78 eV (PBE) and 1.602 eV (HSE06). Photodetector performance was then simulated in an Al/FTO/In2S3/Ba3SbI3/Sb2S3/Ni configuration using SCAPS-1D. To optimize device efficiency, the width, dopant level, and bulk concentration for each layer of the gadgets were systematically modified, while the effects of interface defects, operating temperature, and series and shunt resistances were also evaluated. The optimized device achieved an open-circuit voltage (Voc) of 1.047 V, short-circuit current density (Jsc) of 31.65 mA/cm2, responsivity of 0.605 A W−1, and detectivity of 1.05 × 1017 Jones. In contrast, in the absence of the Sb2S3 layer, the performance was reduced to a Voc of 0.83 V, Jsc of 26.8 mA/cm2, responsivity of 0.51 A W−1, and detectivity of 1.5 × 1015 Jones. These results highlight Ba3SbI3 as a promising platform for high-performance, cost-effective, and environmentally benign photodetectors. Full article
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