Wafer-Sized CsPbBr3/CsPbCl3 Heterojunction: Breaking the Trade-Off between Sensitivity and Dark Current for Efficient X-ray Detector.

Polycrystalline lead halide perovskite finds promising use in fabricating X-ray detectors with a large lateral size, adjustable thickness, and diverse synthesis processes. However, a large dark current hinders its development for weak signal detection. Herein, we propose a multistep pressing strategy for manufacturing a CsPbBr3/CsPbCl3 heterojunction wafer for a reduced dark current X-ray detector, and the device keeps a high sensitivity value after the insertion of a barrier by heterojunction; thus, the trade-off between sensitivity and dark current can be broken. The X-ray detector with a metal-semiconductor-metal structure yields a sensitivity of 6.32 × 104 µC Gyair-1 cm-2 at a bias of 12 V, a 1/f noise of 1.02 × 10-13 A/Hz-1/2, and a detection limit of 66.58 nGy s-1. These performance parameters are considerably better than those of a similar X-ray detector based on the single-structure wafer. The improved device performance of the heterostructure X-ray detector is ascribed to the suppressed carrier recombination, enhanced carrier transportation of the heterojunction, and strong X-ray attenuation of the CsPbCl3 layer. The pixel array device is further used in imaging applications. Hence, this study provides an efficient strategy for fabricating heterostructure polycrystalline lead halide perovskite wafers for use in high-performance wafer-based X-ray detectors.

Cracking Mechanism and Inhibition Strategies of Polycrystalline NCM Electrode Particles.

Developing a high-energy-density cathode material (LiNi1-x-yCoxMnyO2, NCM) for lithium-ion batteries is crucial to the electric vehicle and energy storage industries. However, the continuous insertion/extraction of Li+ generates diffusion-induced stress, causing NCM particles to crack or even pulverize, leading to battery capacity loss and limiting its wider commercial application. Current experimental studies are primarily postmortem examinations, and it is difficult to capture the particle cracking evolution. Simulation studies frequently ignore or simplify anisotropic volume contraction, demonstrating an insufficient understanding of the cracking mechanism of NCM polycrystalline particles, and cracking prevention strategies still need improvement. Therefore, we develop an anisotropic polycrystalline fracture phase-field model (AP-FPFM) that focuses on the anisotropic volume contraction of primary particles and precisely generates grain boundary distribution, coupling with Li+ diffusion, mechanical stress, and particle cracking. We employ AP-FPFM to demonstrate the behavior and mechanism of NCM polycrystalline particle cracking and illustrate the necessity and importance of anisotropic volume contraction to understand particle cracking. Furthermore, we explore the effects of average primary particle size, secondary particle size, and core-shell structure modulation on crack initiation and propagation and propose strategies to inhibit or migrate NCM polycrystalline particle cracking. This work provides theoretical support for revealing the cracking mechanism of anisotropic polycrystalline NCM particles and supplying optimization strategies to suppress particle cracking and improve the mechanical stability.

Intergrain Scattering in Polycrystals.

Transport through grain boundaries in polycrystals is described from first-principles using quantum scattering theory, explicitly including Feshbach resonances to account for intermittently trapped electronic surface states. An effective $T$-matrix is derived, then used to calculate the electrical conductivity which exhibits breakdown, a sharp increase at a critical intergrain bias. Under typical conditions where the electron thermal energy, $k_BT$, is much less than the intergrain barrier height, $\varphi_b$, the electrical conductivity has the form $\sigma \sim T^{-1/2} e^{-\varphi_b/k_BT}$. In the opposite regime, as may be realized in compressed grains, the approach toward the monocrystal grain conductivity as a function of temperature and bias is also considered.

Material Removal Mechanisms of Polycrystalline Silicon Carbide Ceramic Cut by a Diamond Wire Saw.

Polycrystalline silicon carbide (SiC) is a highly valuable material with crucial applications across various industries. Despite its benefits, processing this brittle material efficiently and with high quality presents significant challenges. A thorough understanding of the mechanisms involved in processing and removing SiC is essential for optimizing its production. In this study, we investigated the sawing characteristics and material removal mechanisms of polycrystalline silicon carbide (SiC) ceramic using a diamond wire saw. Experiments were conducted with high wire speeds of 30 m/s and a maximum feed rate of 2.0 mm/min. The coarseness value (Ra) increased slightly with the feed rate. Changes in the diamond wire during the grinding process and their effects on the grinding surface were analyzed using scanning electron microscopy (SEM), laser confocal microscopy, and focused ion beam (FIB)-transmission electron microscopy (TEM). The findings provide insights into the grinding mechanisms. The presence of ductile grinding zones and brittle fracture areas on the ground surface reveals that external forces induce dislocation and amorphization within the grain structure, which are key factors in material removal during grinding.

Dynamics of magnetic inhomogeneity in La2CoMnO6 films probed by Raman spectroscopy.

We report the dynamic effects of magnetic inhomogeneity on the temperature evolution of the Raman modes in polycrystalline La2CoMnO6 (LCMO) films. The LCMO films were obtained via chemical solution deposition and annealed at different temperatures, 700, 800 and 900 °C. Temperature-dependent Raman spectroscopic studies uncover anomalous phonon energy behaviors, associated with strong spin-phonon couplings revealed even at ambient conditions. This effect, which is observed to occur well above ferromagnetic ordering temperature is ascribed to short-range Mn4+/Co2+ ferromagnetic clusters. Moreover, our study has shown that spin-phonon coupling strength is governed by competing antiferromagnetic (AFM) and ferromagnetic (FM) interactions. These results significantly enhance the understanding of the complex spin-phonon coupling mechanism to provide insights into magnetic inhomogeneity in systems with two or more magnetic sublattices. These findings suggest the presence of similar effects in other double perovskites within the RE2CoMnO6 (RE = rare earths) family, which exhibit analogous magnetic sublattice and order-disorder defects.

Simulation and Experimental Study on Stress Relaxation Response of Polycrystalline γ-TiAl Alloy under Nanoindentation Based on Molecular Dynamics.

This study employed nano-indentation technology, molecular dynamics simulation, and experimental investigation to examine the stress relaxation behaviour of a polycrystalline γ-TiAl alloy. The simulation enabled the generation of a load-time curve, the visualisation of internal defect evolution, and the mapping of stress distribution across each grain during the stress relaxation stage. The findings indicate that the load remains stable following an initial decline, thereby elucidating the underlying mechanism of load change during stress relaxation. Furthermore, a nano-indentation test was conducted on the alloy, providing insight into the load variation and stress relaxation behaviour under different loading conditions. By comparing the simulation and experimental results, this study aims to guide the theoretical research and practical application of γ-TiAl alloys.

Operando chemo-mechanical evolution in LiNi0.8Co0.1Mn0.1O2 cathodes.

Ni-rich LiNi x Co y Mn z O2 (NCMxyz, x + y + z = 1, x ≥ 0.8) layered oxide materials are considered the main cathode materials for high-energy-density Li-ion batteries. However, the endless cracking of polycrystalline NCM materials caused by stress accelerates the loss of active materials and electrolyte decomposition, limiting the cycle life. Hence, understanding the chemo-mechanical evolution during (de)lithiation of NCM materials is crucial to performance improvement. In this work, an optical fiber with µÎµ resolution is designed to in operando detect the stress evolution of a polycrystalline LiNi0.8Co0.1Mn0.1O2 (P-NCM811) cathode during cycling. By integrating the sensor inside the cathode, the stress variation of P-NCM811 is completely transferred to the optical fiber. We find that the anisotropy of primary particles leads to the appearance of structural stress, inducing the formation of microcracks in polycrystalline particles, which is the main reason for capacity decay. The isotropy of primary particles reduces the structural stress of polycrystalline particles, eliminating the generation of microcracks. Accordingly, the P-NCM811 with an ordered arrangement structure delivered high electrochemical performance with capacity retention of 82% over 500 cycles. This work provides a brand-new perspective with regard to understanding the operando chemo-mechanical evolution of NCM materials during battery operation, and guides the design of electrode materials for rechargeable batteries.

Pore-Free Single-Crystalline Particles for Durable Na-Ion Battery Cathodes.

The O3-type Na[Ni1-x-yCoxMny]O2 cathodes have received significant attention in sodium-ion batteries (SIBs) due to their high energy density. However, challenges such as structural instability and interfacial instability against an electrolyte solution limit their practical use in SIBs. In this study, the single-crystalline O3-type Na[Ni0.6Co0.2Mn0.2]O2 (SC-NCM) cathode has been designed and synthesized to effectively relieve the degradation pathways of the polycrystalline O3-type Na[Ni0.6Co0.2Mn0.2]O2 (PC-NCM) cathode for SIBs. The mechanically robust SC-NCM due to the absence of pores in the particles enhances tolerance to particle cracking, resulting in stable cycling performance with a cycle retention of 73% over 350 cycles. Moreover, the proposed SC-NCM is synthesized using a simple and cost-effective molten-salt synthetic route without the complex quenching process typically associated with PC-NCM synthesis methods, showing good practical applicability. This study will provide an innovative direction for the development of advanced cathode materials for practical SIBs.

Crystal Plasticity Finite Element Simulation of Grain Evolution Behavior in Aluminum Alloy Rolling.

In this study, the crystal plasticity finite element method was established by coupling the crystal plasticity and finite element method (FEM). The effect of rolling deformation and slip system of polycrystalline Al-Mg-Si aluminum alloy was investigated. The results showed that there was a pronounced heterogeneity in the stress and strain distribution of the material during cold rolling. The maximum strain and shear strain occurred at surface of the material. The smaller the grain size, the lower the strain concentration at the grain boundary. Meanwhile, a smaller strain difference existed between the grain interior and near the boundary. The rotation of grains leads to significant differences in deformation and rotation depending on their initial orientations during the rolling process. The slip system of (11-1)<-110> had a large effect on the plastic deformation, (111)<10-1> is second, and the effect of (1-11)<011> slip system on the plastic deformation is the smallest. After deformation, the grain orientation concentration was increased with deformation. Therefore, both the strength and volume fraction of texture were increased with the increase in rolling deformation. The experimental results of EBSD indicated that the large rolling reduction resulted in severe grain twisting, so the texture strength was increased. The simulation results were in close agreement with the experimental results. This study provides a theoretical basis for the rolling process, microstructure, and performance control of aluminum alloys.

Integrating machine learning and the finite element method for assessing stiffness degradation in photovoltaic modules.

This study introduces a novel machine learning (ML) method utilizing a stacked auto-encoder network to predict stiffness degradation in photovoltaic (PV) modules with pre-existing cracks. The input data for the training process was derived from numerical simulations, ensuring a comprehensive representation of module behavior under various conditions. The findings highlight the robust predictive capability of the model, as evidenced by its impressive R2value of 0.961 and notably low root mean square error (RMSE) of 4.02%. These metrics significantly outperform those of other conventional methods, including the artificial neural network with R2of 0.905 and RMSE of 9.43%, the space vector machine with R2of 0.827 and RMSE of 17.93%, and the random forest (RF) with R2of 0.899 and RMSE of 11.02%. Moreover, the findings suggest that the predictive dynamics of degradation are affected by the varying weight functions of different input parameters, such as climate temperature (CT), grain size (GS), material effort, and pre-crack size, as the degradation level changes. Furthermore, a geometric analysis reveals model deficiencies where significant overestimations correlate with thicker glass components, while pronounced underestimations are predominantly associated with thinner layers of polycrystalline silicon wafer and Ethylene Vinyl Acetate in the module. As a case study, it demonstrated that to maintain a constant degradation level between 1.30 and 1.32 in a PV module with components featuring consistent geometric attributes, the input parameters must be kept within specific ranges: CT ranging from 33 °C to 57 °C, GS ranging from 36 to 81µm, material effort ranging from 0.74 to 0.81, and pre-crack size ranging from 24 to 32µm. Therefore, this underscores that the ML model not only predicts degradation but also delineates the parameter space required to achieve a consistent output value.

Insights into polycrystalline microstructure of blood films with 3D Mueller matrix imaging approach.

This study introduces a novel approach in the realm of liquid biopsies, employing a 3D Mueller-matrix (MM) image reconstruction technique to analyze dehydrated blood smear polycrystalline structures. Our research centers on exploiting the unique optical anisotropy properties of blood proteins, which undergo structural alterations at the quaternary and tertiary levels in the early stages of diseases such as cancer. These alterations manifest as distinct patterns in the polycrystalline microstructure of dried blood droplets, offering a minimally invasive yet highly effective method for early disease detection. We utilized a groundbreaking 3D MM mapping technique, integrated with digital holographic reconstruction, to perform a detailed layer-by-layer analysis of partially depolarizing dry blood smears. This method allows us to extract critical optical anisotropy parameters, enabling the differentiation of blood films from healthy individuals and prostate cancer patients. Our technique uniquely combines polarization-holographic and differential MM methodologies to spatially characterize the 3D polycrystalline structures within blood films. A key advancement in our study is the quantitative evaluation of optical anisotropy maps using statistical moments (first to fourth orders) of linear and circular birefringence and dichroism distributions. This analysis provides a comprehensive characterization of the mean, variance, skewness, and kurtosis of these distributions, crucial for identifying significant differences between healthy and cancerous samples. Our findings demonstrate an exceptional accuracy rate of over 90 % for the early diagnosis and staging of cancer, surpassing existing screening methods. This high level of precision and the non-invasive nature of our technique mark a significant advancement in the field of liquid biopsies. It holds immense potential for revolutionizing cancer diagnosis, early detection, patient stratification, and monitoring, thereby greatly enhancing patient care and treatment outcomes. In conclusion, our study contributes a pioneering technique to the liquid biopsy domain, aligning with the ongoing quest for non-invasive, reliable, and efficient diagnostic methods. It opens new avenues for cancer diagnosis and monitoring, representing a substantial leap forward in personalized medicine and oncology.

Stability Study of Synthetic Diamond Using a Thermally Controlled Biological Environment: Application towards Long-Lasting Neural Prostheses.

This paper demonstrates, for the first time, the stability of synthetic diamond as a passive layer within neural implants. Leveraging the exceptional biocompatibility of intrinsic nanocrystalline diamond, a comprehensive review of material aging analysis in the context of in-vivo implants is provided. This work is based on electric impedance monitoring through the formulation of an analytical model that scrutinizes essential parameters such as the deposited metal resistivity, insulation between conductors, changes in electrode geometry, and leakage currents. The evolution of these parameters takes place over an equivalent period of approximately 10 years. The analytical model, focusing on a fractional capacitor, provides nuanced insights into the surface conductivity variation. A comparative study is performed between a classical polymer material (SU8) and synthetic diamond. Samples subjected to dynamic impedance analysis reveal distinctive patterns over time, characterized by their physical degradation. The results highlight the very high stability of diamond, suggesting promise for the electrode's enduring viability. To support this analysis, microscopic and optical measurements conclude the paper and confirm the high stability of diamond and its strong potential as a material for neural implants with long-life use.

A Novel IGBT with SIPOS Pillars Achieving Ultralow Power Loss in TCAD Simulation Study.

A novel insulated gate bipolar transistor with Semi-Insulated POly Silicon (SIPOS) is presented in this paper and analyzed through TCAD simulation. In the off state, the SIPOS-IGBT can obtain a uniform electric field distribution, which enables a thinner drift region under the same breakdown voltage. In the on state, an electron accumulation layer is formed along the SIPOS, which can increase the injection level of the "PiN region" in the device, and the carrier concentration in the drift region is also increased due to the charge balance effect. Moreover, the SIPOS-IGBT can achieve a quick and thorough depletion in the drift region during the turn-off transient, which can greatly reduce the turn-off loss of the SIPOS-IGBT. These advantages improve the tradeoff between the conduction and switching losses. According to the simulation results, the SIPOS-IGBT obtained a 58% lower turn loss than that of a field-stop (FS) IGBT and 30% lower than an HK-IGBT with the same on-state voltage.

Effect of Grain Size on Nanometric Cutting of Polycrystalline Silicon via Molecular Dynamics Simulation.

The grain size effect is an important factor in determining the material removal behavior of polycrystalline silicon (p-Si). In the present study, to improve the understanding of nanoscale machining of p-Si, we performed molecular dynamics simulation of nanometric cutting on a p-Si workpiece and discussed the grain size effect on material removal behavior and subsurface damage formation. The simulation results indicate that when cutting on the polycrystal workpiece, the material removal process becomes unstable compared with single crystals. Higher removal efficiency, less elastic recovery and higher frictional coefficient are observed as the average grain size decreases. In the subsurface workpiece, when the grain size decreases, slip along grain boundaries merges as a nonnegligible process of the plastic deformation and suppresses the elastic deformation ahead of the cutting tool. It is also revealed that when cutting on a polycrystal workpiece with smaller grains, the average stress decreases while the workpiece temperature increases due to the impediment of heat transfer by grain boundaries. These results could provide a fundamental understanding in the material deformation mechanism of p-Si during nanoscale machining.

Observation of Linear Magnetoresistance in MoO2.

Magnetoresistance, the change in resistance with applied magnetic fields, is crucial to the magnetic sensor technology. Linear magnetoresistance has been intensively studied in semimetals and semiconductors. However, the air-stable oxides with a large linear magnetoresistance are highly desirable but remain to be fully explored. In this paper, we report the direct observation of linear magnetoresistance in polycrystalline MoO2 without any sign of saturation up to 7 T under 50 K. Interestingly, the linear magnetoresistance reaches as large as 1500% under 7 T at 2 K. The linear field dependence is in great contrast to the parabolic behavior observed in single-crystal MoO2, probably due to phonon scattering near the grain boundaries. Our results pave the way to comprehending magneto-transport behavior in oxides and their potential applications in magnetic sensors.

Perspective on High-Stability Single-Crystal Li-Rich Cathode Materials for Li-Ion Batteries.

Benefiting from anionic and cationic redox reactions, Li-rich materials have been regarded as next-generation cathodes to overcome the bottleneck of energy density. However, they always suffer from cracking of polycrystalline (PC) secondary particles and lattice oxygen release, resulting in severe structural deterioration and capacity decay upon cycling. Single-crystal (SC) design has been proven as an effective strategy to relieve these issues in traditional Li-rich cathodes with PC morphology. Herein, we first reviewed the main synthesis routes of SC Li-rich materials including solid-state reaction, molten salt-assisted, and hydrothermal/solvothermal methods, in which the differences in grain morphology, electrochemical behaviors, and other properties induced by various routes were analyzed and discussed. Furthermore, the distinct characteristics were compared between SC and PC cathodes from the aspects of irreversible capacity, structural stability, capacity/voltage degradation, and gas release. Besides, recent advances in layered SC Li-rich oxide cathodes were summarized in detail, where the unique structural designs and modification strategies could greatly promote their structural/electrochemical stability. At last, challenges and perspectives for the emerging SC Li-rich cathodes were proposed, which provided an exceptional opportunity to achieve high-energy-density and high-stability Li-ion/metal batteries.

Densification and Surface Carbon Transformation of Diamond Powders under High Pressure and High Temperature.

A new type of poly-diamond plate without a catalyst was produced via the high-pressure high-temperature (HPHT) compression of diamond powders. The densification of diamond powders and sp3 to sp2 carbon on the surface under HPHT compression was investigated through the characterization of the microstructure, Raman spectroscopy analysis and electrical resistance measurement. The densification and sp3-sp2 transformation on the surface are mainly affected by the pressure, temperature and particle size. The quantitative analysis of the diamond sp3 and sp2 carbon amount was performed through the peak fitting of Raman spectra. It was found that finer diamond particles under a higher temperature and a lower pressure tend to produce more sp2 carbon; otherwise, they produce less. In addition, it is interesting to note that the local residual stresses measured using Raman spectra increase with the diamond particle size. The suspected reason is that the increased particle size reduces the number of contact points, resulting in a higher localized pressure at each contact point. The hypothesis was supported by finite element calculation. This study provides detailed and quantitative data about the densification of diamond powders and sp3 to sp2 transformation on the surface under HPHT treatment, which is valuable for the sintering of polycrystalline diamonds (PCDs) and the HPHT treatment of diamonds.

Laue microdiffraction on polycrystalline samples above 1500†K achieved with the QMAX-µLaue furnace.

X-ray Laue microdiffraction aims to characterize microstructural and mechanical fields in polycrystalline specimens at the sub-micrometre scale with a strain resolution of ∼10-4. Here, a new and unique Laue microdiffraction setup and alignment procedure is presented, allowing measurements at temperatures as high as 1500 K, with the objective to extend the technique for the study of crystalline phase transitions and associated strain-field evolution that occur at high temperatures. A method is provided to measure the real temperature encountered by the specimen, which can be critical for precise phase-transition studies, as well as a strategy to calibrate the setup geometry to account for the sample and furnace dilation using a standard α-alumina single crystal. A first application to phase transitions in a polycrystalline specimen of pure zirconia is provided as an illustrative example.

High-Strength Polycrystalline Covalent Organic Framework with Abnormal Thermal Transport Insensitive to Grain Boundary.

Grain boundaries (GBs) in two-dimensional (2D) covalent organic frameworks (COFs) unavoidably form during the fabrication process, playing pivotal roles in the physical characteristics of COFs. Herein, molecular dynamics simulations were employed to elucidate the fracture failure and thermal transport mechanisms of polycrystalline COFs (p-COFs). The results revealed that the tilt angle of GBs significantly influences out-of-plane wrinkles and residual stress in monolayer p-COFs. The tensile strength of p-COFs can be enhanced and weakened with the tilt angle, which exhibits an inverse relationship with the defect density. The crack always originates from weaker heptagon rings during uniaxial tension. Notably, the thermal transport in p-COFs is insensitive to the GBs due to the variation of minor polymer chain length at defects, which is abnormal for other 2D crystalline materials. This study contributes insights into the impact of GBs in p-COFs and offers theoretical guidance for structural design and practical applications of advanced COFs.

Optically Transparent Lead Halide Perovskite Polycrystalline Ceramics.

We utilize room-temperature uniaxial pressing at applied loads achievable with low-cost, laboratory-scale presses to fabricate freestanding CH3NH3PbX3 (X- = Br-, Cl-) polycrystalline ceramics with millimeter thicknesses and optical transparency up to ∼70% in the infrared. As-fabricated perovskite ceramics can be produced with desirable form factors (i.e., size, shape, and thickness) and high-quality surfaces without any postprocessing (e.g., cutting or polishing). This method should be broadly applicable to a large swath of metal halide perovskites, not just the compositions shown here. In addition to fabrication, we analyze microstructure-optical property relationships through detailed experiments (e.g., transmission measurements, electron microscopy, X-ray tomography, optical profilometry, etc.) as well as modeling based on Mie theory. The optical, electrical, and mechanical properties of perovskite polycrystalline ceramics are benchmarked against those of single-crystalline analogues through spectroscopic ellipsometry, Hall measurements, and nanoindentation. Finally, γ-ray scintillation from a transparent MAPbBr3 ceramic is demonstrated under irradiation from a 137Cs source. From a broader perspective, scalable methods to produce freestanding polycrystalline lead halide perovskites with comparable properties to their single-crystal counterparts could enable key advancements in the commercial production of perovskite-based technologies (e.g., direct X-ray/γ-ray detectors, scintillators, and nonlinear optics).