Search Results (390)

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

Two-dimensional (2D) colloidal CsPbBr₃ nanosheets (NSs) possess size-dependent optoelectronic properties; however, conventional hot-injection methods often lack precise growth control and well-ordered superlattice self-assembly. Herein, we introduce a modified ligand-assisted hot-injection strategy that promotes direct precursor–ligand interactions prior to solvent mixing, thereby enabling highly controlled nanosheet superlattice growth. By adjusting the reaction temperature from 130 to 150 °C, we obtained rectangular nanosheets with monodisperse, well-defined thicknesses of 3.35 ± 0.05 nm and 4.05 ± 0.09 nm at 130 and 140 °C, respectively, both below the 7 nm exciton Bohr diameter, consistent with strong quantum confinement. The resulting superlattices exhibited sharp, tunable photoluminescence peaks at 462, 464, and 513 nm, with time-resolved PL revealing a clear size–lifetime correlation, where smaller lateral superlattices at 130 °C showed a short decay time of 8.65 ns, intermediate growth at 140 °C yielded 15.42 ns, and larger lateral superlattices at 150 °C reached 35.49 ns. Importantly, the modified synthesis facilitated the formation of ordered superlattices that preserved their intrinsic emission properties, underscoring their structural stability and scalability. These findings establish a direct link between ligand-mediated synthesis, reaction temperature, nanosheet dimensions, and optical performance, offering a pathway to high-quality perovskite NS superlattices for advanced optoelectronic applications such as light-emitting diodes and sensors. Full article

Due to its unique electrical and optical properties, as well as the tunable band structure based on thickness, 2D phosphorene recently emerged as a research hotspot and holds significant potential for applications across various fields. In this study, due to the special band structure and excellent electron transport performance of phosphorene, it formed a series structure with SnO₂ as the electron transport layer of perovskite solar cells. Consequently, the photocurrent density was enhanced by approximately 20%, and the energy conversion efficiency was effectively elevated from 16.38% for pure SnO₂ to 18.03% for the SnO₂/phosphorene composite. Electrochemical measurements and spectral analyses revealed that the incorporation of phosphorene augmented electron mobility within the absorption layer, reduced the electron–hole recombination rate, and decreased the cell’s series resistance, thereby leading to improved efficiency of the perovskite solar cell. This research not only introduces a novel approach to enhancing solar cell efficiency but also paves a new pathway for the application of phosphorene. Full article

Quasi-two-dimensional (Q2D) perovskite films have garnered significant attention as novel gain media for lasers due to their tunable bandgap, narrow linewidth, and solution processability. Q2D perovskites endowed with intrinsic quantum well structures demonstrate remarkable potential as gain media for cost-effective miniaturized lasers, owing to their superior ambient stability and enhanced photon confinement capabilities. However, the mixed-phase distribution within Q2D films constitutes a critical determinant of their optical properties, exhibiting pronounced sensitivity to specific fabrication protocols and processing parameters, including annealing temperature, duration, antisolvent volume, injection timing, and dosing rate. These factors frequently lead to broad phase distribution in Q2D perovskite films, thereby inducing incomplete exciton energy transfer and multiple emission peaks, while simultaneously making the fabrication processes intricate and reducing reproducibility. Here, we report a novel annealing-free and antisolvent-free method for the preparation of Q2D perovskite films fabricated in ambient atmosphere. By constructing a tailored mixed-solvent vapor atmosphere and systematically investigating its regulatory effects on the nucleation and growth processes of film via in situ photoluminescence spectra, we successfully achieved the fabrication of Q2D perovskite films with large n narrow phase distribution characteristics. Due to the reduced content of small n domains, the incomplete energy transfer from small n to large n phases and the carriers’ accumulation in small n can be greatly suppressed, thereby suppressing the trap-assistant nonradiative recombination and Auger recombination. Ultimately, the Q2D perovskite film showed a single emission peak at 519 nm with the narrow full width at half maximum (FWHM) of 21.5 nm and high photoluminescence quantum yield (PLQY) of 83%. And based on the optimized Q2D film, we achieved an amplified spontaneous emission (ASE) with a low threshold of 29 μJ·cm⁻², which was approximately 60% lower than the 69 μJ·cm⁻² of the control film. Full article

We experimentally investigate the structural, magnetic, transport, and electronic properties of two d⁵ iridate double perovskite materials La₂BIrO₆ (B = Mg, Zn). Notably, despite similar crystallographic structure, the two compounds show distinctly different magnetic behaviors. The M = Mg compound shows an antiferromagnetic-like linear field-dependent isothermal magnetization below its transition temperature, whereas the M = Zn counterpart displays a clear hysteresis loop followed by a noticeable coercive field, indicative of ferromagnetic components arising from a non-collinear Ir spin arrangement. The local structure studies authenticate perceptible M/Ir antisite disorder in both systems, which complicates the magnetic exchange interaction scenario by introducing Ir-O-Ir superexchange pathways in addition to the nominal Ir-O-B-O-Ir super-superexchange interactions expected for an ideally ordered structure. While spin–orbit coupling (SOC) plays a crucial role in establishing insulating behavior for both these compounds, the rotational and tilting distortions of the IrO₆ (and MO₆) octahedral units further lift the ideal cubic symmetry. Finally, by measuring the Ir-L₃ edge resonant inelastic X-ray scattering (RIXS) spectra for both the compounds, giving evidence of spin–orbit-derived low-energy inter-J-state (intra t_2g) transitions (below ~1 eV), the charge transfer (O 2p → Ir 5d), and the crystal field (Ir t_2g → e_g) excitations, we put forward a qualitative argument for the interplay among effective SOC, non-cubic crystal field, and intersite hopping in these two compounds. Full article

Ferroelectric materials have attracted great attention for photocatalytic hydrogen (H₂) evolution due to their internal depolarization fields that promote carrier separation and directional migration. However, conventional inorganic ferroelectrics often suffer from wide band gaps and low conductivity, limiting their solar-to-hydrogen conversion efficiency. Here, we report a two-dimensional (2D) multilayered perovskite ferroelectric, [butylammonium]₂[ethylammonium]₂Pb₃I₁₀ (BAPI), which integrates robust spontaneous polarization (P_s) and excellent semiconductor properties to enable efficient photocatalysis. Under simultaneous light and ultrasonic excitation, BAPI/Pt (1 wt%) achieves a H₂ evolution rate of 1256 μmol g⁻¹ h⁻¹, which is twice that under light alone, due to dynamic polarization modulation that mitigates ionic screening and enhances internal electric fields. Notably, this enhancement vanishes when BAPI transitions to a centrosymmetric, nonpolar phase at 323 K, confirming the critical role of P_s. These findings offer a new pathway toward high-performance ferroelectric photocatalysts for solar hydrogen production. Full article

A novel, eco-friendly perovskite solar cell design is investigated using numerical simulations based on the finite-difference time-domain (FDTD) method. The proposed structure incorporates a two-dimensional (2D) photonic crystal (PhC) architecture featuring a titanium dioxide (TiO₂) cylindrical electron extraction layer. To reduce fabrication complexity and overall production costs, a hole-transport-layer-free (HTL-free) configuration is employed. Simulation results reveal a significant enhancement in photovoltaic performance compared to conventional planar structures, achieving an ultimate efficiency of 42.3%, compared to 36.6% for the traditional design—an improvement of over 16%. Electromagnetic field distributions are analyzed to elucidate the physical mechanisms behind the enhanced absorption. The improved optical performance is attributed to strong coupling between photonic modes and surface plasmon polaritons (SPPs), which enhances light–matter interaction. Furthermore, the device exhibits polarization-insensitive and angle-independent absorption characteristics, maintaining high performance for both transverse magnetic (TM) and transverse electric (TE) polarizations at incidence angles up to 60°. These findings highlight a promising pathway toward the development of cost-effective, lead-free perovskite solar cells with high efficiency and simplified fabrication processes. Full article

Lead-free perovskite solar cells (PSCs) provide a viable alternative to lead-based versions, thereby reducing significant environmental issues related to toxicity. MASnIBr₂ has emerged as a very attractive lead-free perovskite material due to its environmentally friendly characteristics and advantageous optoelectronic capabilities. However, more tuning is required to achieve superior conversion efficiencies (PCEs). This study uses SCAPS-1D simulations to systematically develop and optimize the electron and hole transport layers (ETLs/HTLs) in MASnIBr₂-based perovskite solar cells (PSCs). Iterative simulations are used to carefully examine and optimize critical parameters, including electron affinity, energy bandgap, layer thickness, and doping density. Additionally, the thickness of the MASnIBr₂ absorber layer is optimized to enhance charge extraction and light absorption. Our findings showed a maximum power conversion efficiency of 20.42%, an open-circuit voltage of 1.38 V, a short-circuit current density of 17.91 mA/cm², and a fill factor of 82.75%. This study establishes a basis for future progress in sustainable photovoltaics and offers essential insights into the design of efficient lead-free perovskite solar cells. Full article

Developing perovskite solar cells (PSCs) with both high performance and long-term stability remains a critical challenge and research focus in the field of photovoltaic devices. Herein, we report a multi-step spin-coating strategy for high-efficiency 2D/3D perovskite heterojunction solar cells by sequentially depositing low-concentration 3-pyridine methylamine iodine solutions onto 3D perovskite films. This approach enables controlled Ostwald ripening and forms graded 2D/3D heterointerfaces rather than insulating capping layers, yielding a champion device with a PCE of 22.7%, significantly outperforming conventional 2D/3D planar counterparts. The optimized structure exhibits enhanced carrier extraction, suppressed recombination, and exceptional humidity stability; the hydrophobic structure further enabled >85% initial efficiency retention after 800 h at 45% relative humidity (RH) for target devices. This study establishes a novel research paradigm for developing high-performance and stable 2D/3D perovskite solar cells through gradient dimensionality engineering. Full article

Halide perovskite-based memristors are promising neuromorphic devices due to their unique ion migration and interface tunability, yet their conduction mechanisms remain unclear, causing stability and performance issues. Here, we engineer interstitial Ag⁺ ions within a quasi-two-dimensional (quasi-2D) halide perovskite ((C₆H₅C₂H₄NH₃)₂Cs_n−1Pb_nI_3n+1) to enhance device stability and controllability. The introduced Ag⁺ ions occupy organic interlayers, forming thermodynamically stable structures and introducing deep-level energy states without structural distortion, which do not act as non-radiative recombination centers, but instead serve as efficient charge trapping centers that stabilize intermediate resistance states and facilitate controlled filament evolution during resistive switching. This modification also leads to enhanced electron transparency near the Fermi level, contributing to improved charge transport dynamics and device performance. Under external electric fields, these Ag⁺ ions act as mobile ionic species, facilitating controlled filament formation and stable resistive switching. The resulting devices demonstrate exceptional performance, featuring an ultrahigh on/off ratio (∼10⁸) and low operating voltages (∼0.31 V), surpassing existing benchmarks. Our findings highlight the dual role of Ag⁺ ions in structural stabilization and conduction modulation, providing a robust approach for high-performance perovskite memristor engineering. Full article

Two-dimensional (2D) organic−inorganic hybrid perovskites (OIHPs) have emerged as promising candidates for next-generation optoelectronic applications. While vertical heterostructures of 2D OIHPs have been explored through mechanical stacking, the controlled fabrication of lateral heterostructures remains a significant challenge. Here, we present a lithography-free, van der Waals mask-assisted strategy for the deterministic fabrication of 2D OIHP lateral heterostructures. Mechanically exfoliated 2D materials such as graphene serve as removable masks that enable selective conversion of unmasked perovskite regions via ion exchange reaction. This technique enables the fabrication of various lateral heterostructures, such as BA₂MA₂Pb₃I₁₀/MAPbI₃, PEAPbI₄/MAPbI₃, as well as BA₂MAPb₂I₇/MAPbBr₃. Furthermore, complex multiheterostructures and superlattices can be constructed through sequential masking and conversion processes. Moreover, to investigate the electronic properties and demonstrate potential device applications of the lateral heterostructures, we have fabricated an electrical diode based on a BA₂MA₂Pb₃I₁₀/MAPbI₃ lateral heterostructure. Stable electrical rectifying behavior with a rectification ratio of around 10 was observed. This general and flexible approach provides a robust platform for constructing 2D OIHPs lateral heterostructures and opens new pathways for their integration into high-performance optoelectronic devices. Full article

The toxicity of lead in conventional perovskites and their inherent chemical instability impede the commercialization of perovskite-based optoelectronics. Therefore, it is vital to develop chemically stable and environmentally friendly Pb-free alternatives. Recently, zero-dimensional (0D) all-inorganic Cs₂ZnCl₄ doped with Sn(II) has emerged as a promising candidate, exhibiting superior chemical robustness, minimal biotoxicity, and exceptional optoelectronic properties. In this work, pressure effects on structure and optical properties in Sn(II)-doped all-inorganic zero-dimensional halide perovskite are investigated both experimentally and theoretically. The structure–property relationship of Sn(II)-doped Cs₂ZnCl₄ is studied using high-pressure techniques. Piezochromism, accompanied by a remarkable change in emission color from orange/red and green to orange/yellow, was obtained from 1 atm to 22.5 GPa. Angle dispersive synchrotron X-ray diffraction (ADXRD) patterns and Raman spectra manifest that the material underwent an isostructural phase transition followed by amorphization with increasing pressure. The piezochromism and band gap engineering originate from the pressure-induced lattice compression and isostructural phase transition. This work advances STE emission studies and provides a robust strategy to boost emission efficiency and to construct multifunctional materials with piezochromism in environmentally friendly perovskites, thus facilitating diverse future applications. Full article

The two-dimensional (2D) Ruddlesden–Popper perovskite exhibits superior chemical stability but suffers from compromised photoelectric properties due to the van der Waals gap. This study presents a novel investigation of surface passivation effects on quasi-2D perovskite X₂Cs_n−1Pb_nI_3n+1 (n = 1–6; X = MA, FA, PEA) using DFT methods, revealing three key advances: First, we demonstrate that organic cation passivation (MA⁺, FA⁺, PEA⁺) enables exceptional stability improvements, with FA-passivated structures showing optimal stability—a crucial finding for materials design. Second, we identify a critical thickness effect (n > 3) where bandgaps converge to <1.6 eV (approaching bulk values) while maintaining strong absorption, establishing the minimum layer requirement for optimal performance. Third, we reveal that effective masses balance and absorption strengthens significantly when n > 3. These fundamental insights provide a transformative strategy to simultaneously enhance both stability and optoelectronic properties in quasi-2D perovskites. Full article

Using the s-d model and Green’s function theory, we investigated for the first time the electron and hole doping effects on the magnetic and optical properties of the double perovskites ${\mathrm{Ba}}_2{\mathrm{FeMoO}}_6$ (BFMO) and ${\mathrm{Sr}}_2{\mathrm{FeMoO}}_6$ (SFMO). Our aim was to find the doping ions that lead to an increase in Curie temperature $T_C$. On the basis of a competition mechanism between spin exchange and s-d interactions, we explain at a microscopic level the decrease in magnetization M and band gap energy $E_g$, as well as the increase in $T_C$ of BFMO and SFMO through substitution with rare earth ions at the Ba(Sr) sites. The influence of doping with K at the Ba(Sr) and Co at the Fe sites on the magnetic properties and the band gap is also discussed. A very good qualitative coincidence with the existing experimental data was observed. Moreover, we found that both M and $T_C$ decrease with decreasing the size of BFMO and SFMO nanoparticles. Full article

The one-dimensional (1D) Sb(III)-based organic–inorganic hybrid perovskite (AImd)₂¹_∞[SbI₅] (AImd = 1-allylimidazolium) crystallizes in the orthorhombic, centrosymmetric space group Pnma. The structure consists of corner-sharing [SbI₆] octahedra forming 1D chains separated by allylimidazolium cations. Void analysis through Mercury CSD software confirmed a densely packed lattice with a calculated void volume of 1.1%. Integrated quantum theory of atoms in molecules (QTAIM) and non-covalent interactions index (NCI) analyses showed that C–H···I interactions between the cations and the ¹_∞[SbI₅]²⁻ network predominantly stabilize the supramolecular assembly followed by N–H···I hydrogen bonds. The calculated growth morphology (GM) model fits very well to the experimental morphology. UV–Vis diffuse reflectance spectroscopy allowed us to determine the optical band gap to 3.15 eV. Density functional theory (DFT) calculations employing the B3LYP, CAM-B3LYP, and PBE0 functionals were benchmarked against experimental data. CAM-B3LYP best reproduced Sb–I bond lengths, while PBE0 more accurately captured the HOMO–LUMO gap and the associated electronic descriptors. These results support the assignment of an inorganic-to-organic [Sb–I] → π* charge-transfer excitation, and clarify how structural dimensionality and cation identity shape the material’s optoelectronic properties. Full article