Single crystal perovskites have garnered significant attention as potential replacements for existing absorber layer materials. Despite the extensive investigations on their photoinduced charge-carriers dynamics, most of the time-resolved techniques focus on bulk properties, neglecting surface characteristic which plays a crucial role for their optoelectronic performance. Herein, 4D ultrafast scanning electron microscopy (4D-USEM) is utilized to probing the photogenerated carrier transport at the first few nanometers, alongside density functional theory (DFT) to track both defect centers and ions migration. Two compositions of mixed cation are investigated: FA0.6MA0.4PbI3 and FA0.4MA0.6PbI3, interestingly, the former displays a longer lifetime compared to the latter due the presence of a higher surface-defect centers. DFT calculations fully support that revealing samples with higher FA content have a lower energy barrier for iodide ions to migrate from the bulk to top layer, assisting in passivating surface vacancies, and a higher energy diffusion barrier to escape from surface to vacuum, resulting in fewer vacancies and longer-lived hole-electron pairs. These findings manifest the influence of cation selection on charge carrier transport and formation of defects, and emphasize the importance of understanding ion migrations role in controlling surface vacancies to assist engineering high-performance optoelectronic devices based on single crystal perovskites.

Charge carriers in the soft and polar perovskite lattice form so-called polaron quasiparticles, charge carriers dressed with a lattice deformation. The spatial extent of a polaron is governed by the material\'s electron-phonon interaction strength, which determines charge carrier effective mass, mobility, and the so-called Mott polaron density, that is, the maximum stable density of charge carriers that a perovskite can support. Despite its significance, controlling polaron dimensions has been challenging. Here, experimental substantial tuning of polaron dimensions is reported by lattice engineering, through Pb/Sn substitution in CH3NH3SnxPb1-xI3. The polaron dimension is deduced from the Mott polaron density, which can be composition-tuned over an order of magnitude, while charge carrier mobility occurs through band transport, and remains substantial across all compositions, ranging from 10 s to 100 s cm2 V s-1 at room temperature. The effective modulation of polaron size can be understood by considering the bond asymmetry after carrier injection as well as the random spatial distribution of Pb/Sn ions. This study underscores the potential for tailoring polaron dimensions, which is crucial for optimizing applications prioritizing either high charge carrier density or high mobility.

Perovskite materials, celebrated for their exceptional optoelectronic properties, have seen extensive application in the field of light-emitting diodes (LEDs), where research is as abundant as the proverbial \"carloads of books.\" In this review, the research of perovskite materials is delved into from a dimensional perspective, with a focus on the exemplary performance of low-dimensional perovskite materials in LEDs. This discussion predominantly revolves around perovskite quantum wires and perovskite nanorods. Perovskite quantum wires are versatile in their growth, compatible with both solution-based and vapor-phase growth, and can be deposited over large areas-even on spherical substrates-to achieve commendable electroluminescence (EL). Perovskite nanorods, on the other hand, boast a suite of superior characteristics, such as polarization properties and tunability of the transition dipole moment, endowing them with the great potential to enhance light extraction efficiency. Furthermore, zero-dimensional (0D) perovskite materials like nanocrystals (NCs) are also the subject of widespread research and application. This review reflects on and synthesizes the unique qualities of the aforementioned materials while exploring their vital roles in the development of high-efficiency perovskite LEDs (PeLEDs).

The combination of sensing invisible ultraviolet photons and infrared radiation can significantly enhance target recognition by offsetting their own limit in a short sensing range and poor spatial resolution. However, the difference in their wavelength sets unique requirements for sensing materials and devices, which makes it hard to establish their implementation in a single detector. In this work, we present the design of a single detector with CH3NH3PbCl3 (MAPbCl3) for distinguishing ultraviolet and IR signals by switching its operating mode in the photo-/thermo-electric effect. The large optical band gap of ∼3.2 eV in MAPbCl3 ensures the response toward an ultraviolet photon, while its efficient thermoelectric effect allows the sensing of an IR signal. As a result, the detector exhibits a specific detectivity of 4.5 × 1012 Jones for 395 nm ultraviolet photons under 0 V, while under the working voltage of 2.5 V, it demonstrates a superior temperature coefficient of resistance of -3.7% K-1, a specific detectivity of 4.8 × 108 Jones, and a limit of detection of 0.58 mW/cm2 for 4 μm photons. The functionality of the switching response to ultraviolet or IR photons by working voltage allows background subtraction and enhances the target discrimination in the imaging.

This work employs Density Functional Theory (DFT) to investigate the characteristics of ATiO3 (A= Mn, Fe, Ni) by utilizing GGA and DFT+U formalisms. Our results reveal that the investigated compounds exhibit a ground-state magnetic arrangement in the G-type antiferromagnetic configuration. Substitution of the A-site atoms along the row leads to a decrease in volume due to poor electronic shielding effects with transition metals. All systems investigated are stable under dynamical conditions, with no imaginary phonon. From the formation energy calculations, NiTiO3 was identified as the most formable and stable compound. DFT+U was most effective for FeTiO3, resulting in significantly wider bandgaps compared to the GGA-level bandgaps. Optical properties such as static dielectric constants, refractive index, and reflectivity were overestimated by the GGA when compared to DFT+U results. The absorption edges of FeTiO3, MnTiO3, and NiTiO3 were analyzed, with DFT+U showing delayed onset compared to GGA. FeTiO3 was found to be the most effective absorber within the visible spectrum according to DFT+U, while NiTiO3 was predicted to be the best absorber by GGA. Each compound\'s mechanical stability was tested and verified based on the Born criteria, with FeTiO3 exhibiting the highest elastic moduli under DFT+U, while NiTiO3 had the highest shear and Young\'s modulus according to GGA. Among the studied compounds, FeTiO3 is the best-performing and most efficient piezoelectric compound with e_16 = 5.418 C m^(-2) under DFT+U. Overall, the studied compounds demonstrate promising capabilities for a wide range of applications in the field of photovoltaic devices, and piezoelectric materials, due to their remarkable optical, and piezoelectric properties.

The inverted inorganic CsPbI3 perovskite solar cells (PSCs) are prospective candidates for next-generation photovoltaics owing to inherent robust thermal/photo-stability and compatibility for tandems. However, the performance and stability of the inverted CsPbI3 PSCs fall behind the n-i-p counterparts due to poor energetic alignment and abundant interfacial defect states. Here, an inorganic 0D Cs4PbBr6 with a good lattice strain arrangement is implemented as the surface anchoring capping layer on CsPbI3. The Cs4PbBr6 perovskite induces enhanced electron-selective junction and thus facilitates efficient charge extraction and effectively inhibits non-radiative recombination. Consequently, the CsPbI3 PSCs with Cs4PbBr6 demonstrate the highest power conversion efficiency (PCE) of CsPbI3-based inverted PSCs, reaching 21.03% PCE from a unit cell and 17.39% PCE from a module with a 64 cm2 aperture area. Furthermore, the resulting devices retain 92.48% after 1000 h under simultaneous 1-sun and damp heat (85 °C / 85% relative humidity) environment.

The metal halide perovskite nanocrystals exhibit a remarkable tolerance to midgap defect states, resulting in high photoluminescence quantum yields. However, the potential of these nanocrystals for applications in display devices is hindered by the suppression of biexcitonic emission due to various Auger recombination processes. By adopting single-particle photoluminescence spectroscopy, herein, we establish that the biexcitonic quantum efficiency increases with the increase in the number of facets on cesium lead bromide perovskite nanocrystals, progressing from cube to rhombic dodecahedron to rhombicuboctahedron nanostructures. The observed enhancement is attributed mainly to an increase in their surface polarity as the number of facets increases, which reduces the Coulomb interaction of charge carriers, thereby suppressing Auger recombination. Moreover, Auger recombination rate constants obtained from the time-gated photon correlation studies exhibited a discernible decrease as the number of facets increased. These findings underscore the significance of facet engineering in fine-tuning biexciton emission in metal halide perovskite nanocrystals.

This article presents the research results of lead-free Ba1-3/2xLax(Fe0.5Nb0.5)O3 (BFNxLa) ceramic materials doped with La (x = 0.00-0.06) obtained via the solid-state reaction method. The tests of the BFNxLa ceramic samples included structural (X-ray), morphological (SEM, EDS, EPMA), DC electrical conductivity, and dielectric measurements. For all BFNxLa ceramic samples, the X-ray tests revealed a perovskite-type cubic structure with the space group Pm3¯m. In the case of the samples with the highest amount of lanthanum, i.e., for x = 0.04 (BFN4La) and x = 0.06 (BFN6La), the X-ray analysis also showed a small amount of pyrochlore LaNbO4 secondary phase. In the microstructure of BFNxLa ceramic samples, the average grain size decreases with increasing La content, affecting their dielectric properties. The BFN ceramics show relaxation properties, diffusion phase transition, and very high permittivity at room temperature (56,750 for 1 kHz). The admixture of lanthanum diminishes the permittivity values but effectively reduces the dielectric loss and electrical conductivity of the BFNxLa ceramic samples. All BFNxLa samples show a Debye-like relaxation behavior at lower frequencies; the frequency dispersion of the dielectric constant becomes weaker with increasing admixtures of lanthanum. Research has shown that using an appropriate amount of lanthanum introduced to BFN can obtain high permittivity values while decreasing dielectric loss and electrical conductivity, which predisposes them to energy storage applications.

First-principles molecular dynamics (FPMD) simulations were applied for analyzing structural evolutions around the paraelectric-ferroelectric phase transition temperature in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature around 80 K, the quantum thermal bath (QTB) method was utilized in this study, which incorporates the nuclear quantum effects (NQEs). The structural evolutions in the QTB-FPMD simulations are in reasonable agreement with the experimental results, by contrast in the conventional FPMD simulations using the classical thermal bath (CTB-FPMD). Especially, the non-linear thermal expansion of lattice constants around the phase transition temperature was well reproduced in the QTB-FPMD with the NQEs. Thus, the NQEs are of importance in phase transitions at low temperatures, particularly below the room temperature, and the QTB is useful in that it incorporates the NQEs in MD simulations with low computational costs comparable to the conventional CTB.

The superstructure spots that appear in diffraction patterns of tilted perovskites are well documented and easily calculated using crystallographic software. Here, by considering a distortion mode as a perturbation of the prototype perovskite structure, it is shown how the structure-factor equation yields Boolean conditions for the presence of superstructure reflections. This approach may have some advantages for the analysis of electron diffraction patterns of perovskites.