Search Results (46)

Tin–lead halide perovskite is a promising narrow-bandgap absorber for high-performance perovskite solar cells. However, the easy oxidation of Sn²⁺ and the resulting defect formation still limit these films’ quality and photovoltaic performance. Tin fluoride (SnF₂) is widely used as an antioxidant additive in Sn-containing perovskites, but its optimal concentration remains strongly dependent on the specific perovskite composition. Herein, we systematically investigate the influence of SnF₂ concentration on the film quality and device performance of methylammonium-free Sn–Pb perovskite solar cells. By varying the SnF₂ content from 0 to 15% relative to SnI₂, we find that an appropriate amount of SnF₂ can effectively improve the surface morphology, enhance crystallinity, promote preferred crystal orientation, and suppress defect-assisted non-radiative recombination. In particular, the film with 10% SnF₂ exhibits the smoothest surface, with a reduced root-mean-square roughness, enhanced photoluminescence intensity, and a lower trap density compared with the control films. As a result, the optimized device delivers a champion power conversion efficiency of 19.15%, significantly outperforming the control device. This work demonstrates the importance of SnF₂ concentration optimization and provides a useful guideline for improving MA-free Sn–Pb perovskite solar cells. Full article

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

Ionic liquids (ILs) can ideally reduce defects and improve the film stability of emissive metal halide perovskite films. In this work, we measure how the structure and emission of methylammonium lead tribromide (MAPbBr₃) perovskite films is modulated by long alkyl chain-containing pyridinium, imidazolium, or pyrrolidinium ILs. Two different film deposition methods are compared, with the resultant films characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and photoluminescence (PL) spectroscopy. For the latter, the differences in PL intensity of the perovskite are quantified using photoluminescence quantum efficiency (PLQE) measurements. It is found that a spin coating method in conjunction with the use of an imidazolium-containing IL (for a given precursor concentration) produces the strongest emissive perovskite. This optimal enhancement is attributed to a function of accessible surface charges associated with the heterocyclic cation of a given IL and perovskite defect passivation by bromide, the latter elucidated with the help of density functional theory. Proof-of-concept device fabrication is demonstrated for the case of a light emitting diode (LED) with the IL present in the emissive perovskite layer. Full article

Metal halide perovskite (MHP) nanocrystals (NCs) offer great potential for high-efficiency optoelectronic devices; however, they suffer from structural softness and chemical instability. Doping MHP NCs can overcome this issue. In this work, we synthesize Mn-doped methylammonium lead bromide (MAPbBr₃) NCs using the ligand-assisted reprecipitation method and investigate their structural and optical stability. X-ray diffraction confirms Mn²⁺ substitution at Pb²⁺ sites and lattice contraction. Photoluminescence (PL) measurements show a blue shift, significant PL quantum yield enhancement, reaching 72% at 17% Mn²⁺ doping, and a 34% increase compared to undoped samples, attributed to effective defect passivation and reduced non-radiative recombination, supported by time-resolved PL data. Mn²⁺ doping also improves long-term stability under ambient conditions. Low-temperature PL reveals the crystal-phase transitions of perovskite NCs and Mn-doped NCs to be somewhat different than those of pure MAPbBr₃. Mn²⁺ incorporation into perovskite promotes self-assembly into superlattices with larger crystal sizes, better structural order, and stronger inter-NC coupling. These results demonstrate that Mn²⁺ doping enhances both optical performance and structural robustness, advancing the potential of MAPbBr₃ NCs for stable optoelectronic applications. Full article

The rapid advancement of wearable electronics and the Internet of Things (IoT) has driven the demand for sustainable power sources to replace conventional batteries. In this study, we developed a high-performance, lead-free triboelectric nanogenerator (TENG) using methylammonium tin chloride (MASnCl₃) perovskite–poly(methyl methacrylate) (PMMA) composite films. MASnCl₃ was synthesized via an anti-solvent-assisted collision technique and incorporated into a flexible PMMA matrix to enhance dielectric properties, thereby improving triboelectric output. The optimized 10 wt% MASnCl₃–PMMA composite-based TENG exhibited a maximum output voltage of 525 V, a current of 13.6 µA, and of power of 2.5 mW, significantly outperforming the many halide perovskite-based TENGs. The device demonstrated excellent pressure sensitivity, achieving 7.72 V/kPa in voltage detection mode and 0.2 μA/kPa in current detection mode. The device demonstrated excellent mechanical stability and was successfully used to power a small electronic device. The findings highlight the potential of halide perovskite–polymer composites in developing eco-friendly, efficient mechanical energy harvesters for next-generation self-powered electronics and sensor applications. Full article

The integration of perovskite materials in solar cells has garnered significant attention due to their exceptional photovoltaic properties. However, achieving a bandgap energy below 1.2 eV remains challenging, particularly for applications requiring infrared absorption, such as sub-cells in tandem solar cells and single-junction perovskite solar cells. In this study, we employed a doping strategy to engineer the bandgap and observed that the doping effects varied depending on the A-site cation. Specifically, we investigated the impact of bismuth (Bi³⁺) incorporation into perovskites with different A-site cations, such as cesium (Cs) and methylammonium (MA). Remarkably, Bi³⁺ doping in MA-based tin-lead perovskites enabled the fabrication of ultra-narrow bandgap films (~1 eV). Comprehensive characterization, including structural, optical, and electronic analyses, was conducted to elucidate the effects of Bi doping. Notably, 8% Bi-doped Sn-Pb perovskites demonstrated infrared absorption extending up to 1360 nm, an unprecedented range for ABX₃-type single halide perovskites. This work provides valuable insights into further narrowing the bandgap of halide perovskite materials, which is essential for their effective use in multi-junction tandem solar cell architectures. Full article

Organic–inorganic metal halide perovskite (OIMHP) has emerged as a promising material for solar cell application due to their outstanding optoelectronics properties. The perovskite-based solar cell (PSC) demonstrates a significant enhancement in efficiency of more than 20%, with a certified efficiency rating of 23.13%. Considering both the Shockley limit and bandgap, there exists a substantial potential for further efficiency improvement. However, stability remains a significant obstacle in the commercialization of these devices. Compared to organic carrier transport layers (CTLs), inorganic material such as ZnO, TiO₂, SnO₂, and NiO_X offer the advantage of being deposited using atomic layer deposition (ALD), which in turn improves the efficiency and stability of the device. In this study, methylammonium lead iodide (MAPbI₃)-based cells with inorganic CTL layers of SnO₂ and NiO_X are simulated using SCAPS-1D software. The cell structure configuration comprises ITO/SnO₂/CH₃NH₃PbI₃/NiO_X/Back contact where SnO₂ and NiO_X act as ETL and HTL, respectively, while ITO is a transparent front-end electrode. Detailed investigation is carried out into the influence of various factors, including MAPbI₃ layer size, the thickness of CTLs, operating temperature parasitic resistance, light intensity, bulk defects, and interfacial defects on the performance parameters. We found that the defects in layers and interface junctions greatly influence the performance parameter of the cell, which is eliminated through an ALD deposition approach. The optimum size of the MAPbI₃ layer and CTL was found to be 400 nm and 50 nm, respectively. At the optimized configuration, the PSC demonstrates an efficiency of 22.13%, short circuit current (JSC) of 20.93 mA/m², open circuit voltage (V_OC) of 1.32 V, and fill factor (FF) of 70.86%. Full article

Organometallic halide perovskite (PVK)-based solar cells (PSC) have gained significant popularity owing to their efficiency, adaptability, and versatility. However, the presence of lead in conventional PVK poses environmental risks and hinders effective commercialization. Although lead-free PVK solar cells have been developed, their conversion efficiency is limited due to intrinsic losses. To address this challenge, we present a simulation study focusing on methylammonium tin bromide (MASnBr₃) as an alternative material. In our investigation, the MASnBr₃ layers are strategically placed between a copper iodide (CuI)-based hole transporting material (HTM) and a zinc oxide (ZnO)-based electron transporting material (ETM). We optimize the active layer thickness, operating temperature, defect density analysis, and series resistances to assess device performance. Furthermore, we employ contour mapping, considering both thickness and defect density, for a detailed investigation. Our primary objective is to achieve unprecedented efficiency in lead-free MASnBr₃-based PSCs. Remarkably, our study achieves the highest J_SC (short-circuit current density) of 34.09 mA/cm², V_OC (open-circuit voltage) of 1.15 V, FF (fill factor) of 82.06%, and optimized conversion efficiency of 32.19%. These advancements in conversion efficiency pave the way for the development of lead-free PVK solar cells in the desired direction. Full article

The structural stability of the extensively studied organic–inorganic hybrid methylammonium tetrel halide perovskite semiconductors, MATtX₃ (MA = CH₃NH₃⁺; Tt = Ge, Sn, Pb; X = Cl, Br, I), arises as a result of non-covalent interactions between an organic cation (CH₃NH₃⁺) and an inorganic anion (TtX₃⁻). However, the basic understanding of the underlying chemical bonding interactions in these systems that link the ionic moieties together in complex configurations is still limited. In this study, ion pair models constituting the organic and inorganic ions were regarded as the repeating units of periodic crystal systems and density functional theory simulations were performed to elucidate the nature of the non-covalent interactions between them. It is demonstrated that not only the charge-assisted N–H···X and C–H···X hydrogen bonds but also the C–N···X pnictogen bonds interact to stabilize the ion pairs and to define their geometries in the gas phase. Similar interactions are also responsible for the formation of crystalline MATtX₃ in the low-temperature phase, some of which have been delineated in previous studies. In contrast, the Tt···X tetrel bonding interactions, which are hidden as coordinate bonds in the crystals, play a vital role in holding the inorganic anionic moieties (TtX₃⁻) together. We have demonstrated that each Tt in each [CH₃NH₃⁺•TtX₃⁻] ion pair has the capacity to donate three tetrel (σ-hole) bonds to the halides of three nearest neighbor TtX₃⁻ units, thus causing the emergence of an infinite array of 3D TtX₆⁴⁻ octahedra in the crystalline phase. The TtX₄⁴⁻ octahedra are corner-shared to form cage-like inorganic frameworks that host the organic cation, leading to the formation of functional tetrel halide perovskite materials that have outstanding optoelectronic properties in the solid state. We harnessed the results using the quantum theory of atoms in molecules, natural bond orbital, molecular electrostatic surface potential and independent gradient models to validate these conclusions. Full article

The field of hybrid organic–inorganic perovskite materials continues to attract the interest of the scientific community due to their fascinating properties and the plethora of promising applications in photovoltaic and optoelectronic devices. To enhance the efficiency and stability of perovskite-based devices, it is essential to discover novel compounds but also to investigate their various physicochemical, structural, and thermal properties. In this work, we report the synthesis and structural characterization of two novel hybrid lead bromide perovskites, combining the imidazolium cation (IMI) with methylammonium (MA) or formamidinium (FA) cations. The isolated polycrystalline powders were studied with X-ray powder diffraction (XPRD) and were formulated as (IMI)(MA)Pb₂Br₆, a 3D structure consisting of dimers of face-sharing octahedra linked in corner-sharing mode, and (IMI)(FA)PbBr₄, a 2D (110) oriented layer structure with zig-zag corner-sharing octahedra. The thermal stability of (IMI)(MA)Pb₂Br₆ and (IMI)(FA)PbBr₄ was investigated with thermogravimetric (TG) and differential scanning calorimetry (DSC) experiments which showed that both compounds are chemically stable (at least) up to 250 °C. Variable-temperature X-ray diffractometric (VT-XRD) studies of (IMI)(FA)PbBr₄ highlighted a structural modification occurring above 100 °C, that is a phase transformation from triclinic to orthorhombic, via an elusive monoclinic phase. Full article

We report on theoretical investigations of a methylammonium lead halide perovskite system loaded with iron oxide and aluminum zinc oxide ($\mathrm{ZnO}:\mathrm{Al}/{\mathrm{MAPbI}}_3/{\mathrm{Fe}}_2{\mathrm{O}}_3$) as a potential photocatalyst. When excited with visible light, this heterostructure is demonstrated to achieve a high hydrogen production yield via a z-scheme photocatalysis mechanism. The ${\mathrm{Fe}}_2{\mathrm{O}}_3$: ${\mathrm{MAPbI}}_3$ heterojunction plays the role of an electron donor, favoring the hydrogen evolution reaction (HER), and the $\mathrm{ZnO}:\mathrm{Al}$ compound acts as a shield against ions, preventing the surface degradation of ${\mathrm{MAPbI}}_3$ during the reaction, hence improving the charge transfer in the electrolyte. Moreover, our findings indicate that the $\mathrm{ZnO}:\mathrm{Al}/{\mathrm{MAPbI}}_3$ heterostructure effectively enhances electrons/holes separation and reduces their recombination, which drastically improves the photocatalytic activity. Based on our calculations, our heterostructure yields a high hydrogen production rate, estimated to be $265.05 \mathsf{\mu }\mathrm{mol}/\mathrm{g}$ and $362.99 \mathsf{\mu }\mathrm{mol}/\mathrm{g}$, respectively, for a neutral pH and an acidic pH of 5. These theoretical yield values are very promising and provide interesting inputs for the development of stable halide perovskites known for their superlative photocatalytic properties. Full article

In this study, we positioned three quaternary ammonium halide-containing cellulose derivatives (PQF, PQCl, PQBr) as interfacial modification layers between the nickel oxide (NiO_x) and methylammonium lead iodide (MAPbI₃) layers of inverted perovskite solar cells (PVSCs). Inserting PQCl between the NiO_x and MAPbI₃ layers improved the interfacial contact, promoted the crystal growth, and passivated the interface and crystal defects, thereby resulting in MAPbI₃ layers having larger crystal grains, better crystal quality, and lower surface roughness. Accordingly, the photovoltaic (PV) properties of PVSCs fabricated with PQCl-modified NiO_x layers were improved when compared with those of the pristine sample. Furthermore, the PV properties of the PQCl-based PVSCs were much better than those of their PQF- and PQBr-based counterparts. A PVSC fabricated with PQCl-modified NiO_x (fluorine-doped tin oxide/NiO_x/PQCl-0.05/MAPbI₃/PC₆₁BM/bathocuproine/Ag) exhibited the best PV performance, with a photoconversion efficiency (PCE) of 14.40%, an open-circuit voltage of 1.06 V, a short-circuit current density of 18.35 mA/cm³, and a fill factor of 74.0%. Moreover, the PV parameters of the PVSC incorporating the PQCl-modified NiO_x were further enhanced when blending MAPbI₃ with PQCl. We obtained a PCE of 16.53% for this MAPbI₃:PQCl-based PVSC. This PQCl-based PVSC retained 80% of its initial PCE after 900 h of storage under ambient conditions (30 °C; 60% relative humidity). Full article

Halide perovskites-based solar cells are drawing significant attention due to their high efficiency, versatility, and affordable processing. Hence, halide perovskite solar cells have great potential to be commercialized. However, the halide perovskites (HPs) are not stable in an ambient environment. Thus, the instability of the perovskite is an essential issue that needs to be addressed to allow its rapid commercialization. In this work, WS₂ nanoparticles (NPs) are successfully implemented on methylammonium lead iodide (MAPbI₃) based halide perovskite solar cells. The main role of the WS₂ NPs in the halide perovskite solar cells is as stabilizing agent. Here the WS₂ NPs act as heat dissipater and charge transfer channels, thus allowing an effective charge separation. The electron extraction by the WS₂ NPs from the adjacent MAPbI₃ is efficient and results in a higher current density. In addition, the structural analysis of the MAPbI₃ films indicates that the WS₂ NPs act as nucleation sites, thus promoting the formation of larger grains of MAPbI₃. Remarkably, the absorption and shelf life of the MAPbI₃ layers have increased by 1.7 and 4.5-fold, respectively. Our results demonstrate a significant improvement in stability and solar cell characteristics. This paves the way for the long-term stabilization of HPs solar cells by the implementation of WS₂ NPs. Full article

Metal halide perovskites are excellent semiconductors materials that can be exploited in many fields, from the vastly explored photovoltaics to the recent applications in photocatalysis. One of the material’s known limitations is the poor resistance to moisture which induces degradation, triggered by the soft and defective nature of its surface. In this study, we explore non-equilibrium plasmas, to deposit a fluorocarbon polymer on the surface of a MAPbI₃ film. We found that the treatment generally enhances the film stability over time, and in certain conditions it improves the perovskite optical properties, demonstrating to be a good strategy aiming defects passivation. Thanks to the solvent-free and non-invasive nature of plasmas, this technique has the potential to be extensively applied to a wide range of perovskite materials targeting different applications. Full article

Controlling the surface traps in metal halide perovskites (MHPs) is essential for device performance, stability, and commercialization. Here, a facile approach is introduced to passivate the methylammonium lead iodide (MAPbI₃) perovskite single crystal (PSC) surface defects by benzylamine (BA) ligand treatment, and the natural crystallographic (100) facets surface of PSC is chosen as the research platform to provide a deeper understanding of the passivation process. The confocal photoluminescence (PL) results show that the pristine three-dimensional (3D) MAPbI₃ PSC surface with a symmetric emission spectrum is normally converted to a pure two-dimensional (2D) BA₂PbI₄, and also forms a quasi-2D Ruddlesden–Popper perovskite (RPP) BA₂MA_n−1PbnI_3n+1 (n = 2, 3, 4, … ∞) after BA exchange with cation defects. The blue shift in the PL peak, as well as the extended exciton lifetimes of time-resolved photoluminescence (TRPL), indicate the realization of surface defect passivation. Additionally, changes in surface morphology are also investigated. The reaction starts with the formation of small, layered crystallites over the surface; as time elapses, the layered crystallites spread and merge in contact with each other, eventually resulting in smooth features. Our findings present a simple approach for MAPbI₃ PSC surface defect passivation, which aims to advance MHP optimization processes toward practical perovskite device applications. Full article