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We present in situ measurements of spectrally resolved X-ray scattering and X-ray diffraction from monocrystalline diamond samples heated with an intense pulse of heavy ions. In this way, we determine the samples' heating dynamics and their microscopic and macroscopic structural integrity over a timespan of several microseconds. Connecting the ratio of elastic to inelastic scattering with state-of-the-art density functional theory molecular dynamics simulations allows the inference of average temperatures around 1300 K, in agreement with predictions from stopping power calculations. The simultaneous diffraction measurements show no hints of any volumetric graphitization of the material, but do indicate the onset of fracture in the diamond sample. Our experiments pave the way for future studies at the Facility for Antiproton and Ion Research, where a substantially increased intensity of the heavy ion beam will be available. [ABSTRACT FROM AUTHOR]

The molecular structure of a crystalline monolayer of hydrocarbon chains was modeled and studied via computer simulation using the Metropolis Monte Carlo algorithm at a temperature T = 300 K. The only interactions in this system occur through Lennard‐Jones dispersion forces and short‐range atom‐atom repulsion. The intent was to establish whether the chains were either rigidly extended or twisted via the thermal formation of gauche bonds and apply the results to understand observations made on two possible oleogelators: triacontane and stearic acid. Specifically, we aimed to understand if their observed crystalline monolayer thicknesses are due to gauche‐bond‐shortened hydrocarbon chains oriented perpendicular to the monolayer surface, or to fully extended rigid chains oriented at a tilt angle with respect to the surface. The results showed that crystals of hydrocarbon chains did not include significant gauche bonds, so that all molecules were rigidly extended, thus explaining the experimental data previously reported. Accordingly, TC and SA dimer molecules are packed in crystalline multilayers with tilt angles in relation to the methyl group plane. [ABSTRACT FROM AUTHOR]

Pulsed underwater direct current discharge is considered as a tool for a one-step process for ferrite synthesis and organic dye removal. The formation of cobalt, nickel and titanium ferrites during the discharge firing process was confirmed by methods of dynamic light scattering and X-ray phase analysis. The transformation of dye molecules (fluorescein, methylene green) during the combined action of plasma and ferrites was detected by UV absorption spectroscopy. The contributions of the separate action of plasma and ferrites to the process of dye removal from the solution were investigated. It was found that the synthesized structures have a high sorption capacity. It was found that fluorescein can be used as an indicator for the presence of nickel ferrites. [ABSTRACT FROM AUTHOR]

We present a formally exact and simulation-free approach for the normalization of X-ray Thomson scattering (XRTS) spectra based on the f-sum rule of the imaginary-time correlation function (ITCF). Our method works for any degree of collectivity, over a broad range of temperatures, and is applicable even in nonequilibrium situations. In addition to giving us model-free access to electronic correlations, this new approach opens up the intriguing possibility to extract a plethora of physical properties from the ITCF based on XRTS experiments. [ABSTRACT FROM AUTHOR]

Quantum fluctuations in low-dimensional systems and near quantum phase transitions have significant influences on material properties. Yet, it is difficult to experimentally gauge the strength and importance of quantum fluctuations. Here we provide a resonant inelastic x-ray scattering study of magnon excitations in Mott insulating cuprates. From the thin film of SrCuO2, single- and bi-magnon dispersions are derived. Using an effective Heisenberg Hamiltonian generated from the Hubbard model, we show that the single-magnon dispersion is only described satisfactorily when including significant quantum corrections stemming from magnon-magnon interactions. Comparative results on La2CuO4 indicate that quantum fluctuations are much stronger in SrCuO2 suggesting closer proximity to a magnetic quantum critical point. Monte Carlo calculations reveal that other magnetic orders may compete with the antiferromagnetic Néel order as the ground state. Our results indicate that SrCuO2—due to strong quantum fluctuations—is a unique starting point for the exploration of novel magnetic ground states. Magnetic excitations in infinite-layer cuprates have been intensively studied. Here the authors use resonant inelastic x-ray scattering and theoretical calculations to study magnons in thin films of SrCuO2, finding distinct magnon dispersion attributed to renormalization due to quantum fluctuations. [ABSTRACT FROM AUTHOR]

The synergistic utilization of low‐dimensional perovskites with 3D perovskite architectures represents a pervasive approach for fabrication of high‐performance and enduring perovskite solar cells (PSCs). In this work, four distinct ionic liquids (ILs) with distinct cations, were introduced on the surface of 3D perovskite to induce the formation of 1D perovskite.Starting with the analysis of 1D/3D heterojunction structures, the assessment foucsed on the binding energies in four ILs‐induced 1D/3D heterojunctions, comparing electron cloud density within 1D/3D structures, and calculating the formation energies associated with iodine and lead defects within these four 1D/3D perovskite structures via DFT calculations. Furthermore, the time‐resolved grazing‐incidence wide‐angle X‐ray scattering technique, as employed in this study, offers real‐time insights into the phase‐transition occurring during the process of ILs coating and the formation of 1D/3D heterojunctions. The well‐designed and optimized 1D perovskite layer significantly reduces the residual lead iodide (PbI2), modulates the work function of the perovskite, and passivates defects in the 3D perovskite, thereby reducing non‐radiative recombination and enhancing charge transport. With the assistance of 1D/3D hybrid films, we achieved an exceptional power conversion efficiency (PCE) of 24.75% in the generated PSCs with remarkable stability. [ABSTRACT FROM AUTHOR]

Femtosecond high-intensity laser pulses at intensities surpassing 1014 W/cm2 can generate a diverse range of functional surface nanostructures. Achieving precise control over the production of these functional structures necessitates a thorough understanding of the surface morphology dynamics with nanometer-scale spatial resolution and picosecond-scale temporal resolution. In this study, we show that single XFEL pulses can elucidate structural changes on surfaces induced by laser-generated plasmas using grazing-incidence small-angle X-ray scattering (GISAXS). Using aluminium-coated multilayer samples we distinguish between sub-picosecond (ps) surface morphology dynamics and subsequent multi-ps subsurface density dynamics with nanometer-depth sensitivity. The observed subsurface density dynamics serve to validate advanced simulation models representing matter under extreme conditions. Our findings promise to open new avenues for laser material-nanoprocessing and high-energy-density science. [ABSTRACT FROM AUTHOR]

This work presents the design and construction of an automated industrial injection moulding apparatus that can be used with a typical multi-user beamline such as the NCD-SWEET small-angle X-ray scattering at the ALBA Synchrotron Light Source. This apparatus is focused on developing an understanding of how the mould temperature and the injection temperature and pressure affect both the orientation and morphology of the semi-crystalline polymer used to fabricate the injected parts. The system design follows current industrial practice and enables the collection of time-resolved X-ray scattering data at several points within the mould cavity, so we can understand the 4D morphology. In this work we show the effectiveness of the equipment using some results from the injection moulding of a random copolymer of polypropylene and that it can be used with a more demanding material such as polyhydroxybutyrate. This can be seen as the first step toward a multiscale digital twin for injection moulding. [ABSTRACT FROM AUTHOR]

Operando studies using high‐energy X‐rays from synchrotron sources are essential for unraveling the complex material transformation that electrocatalysts undergo under operating conditions. This article explores key considerations to perform these experiments and the insights gained from such studies on nanostructured electrocatalysts. Critical factors include optimizing electrochemical performance while obtaining high‐quality X‐ray signals, which often require compromises. The electrochemical operando cell design is crucial, and several different cells are discussed here. Working electrode geometries parallel to the X‐ray beam, probed with a microfocused beam, are emerging as promising solutions for realistic electrochemical performance in operando cells. Careful attention must also be paid to the electrochemical measuring conditions, electrode loading, and beam damage to ensure reliable experiments. When carefully performed and by combining multiple characterization techniques, operando studies with high‐energy X‐rays offer the unique possibility to fully understand the structure of the active electrocatalyst. [ABSTRACT FROM AUTHOR]

Purpose. Fast kV-switching (FKS) and dual-layer flat-panel detector (DL-FPD) technologies have been actively studied as promising dual-energy spectral imaging solutions for FPD-based cone-beam computed tomography (CT). However, cone-beam CT (CBCT) spectral imaging is known to face challenges in obtaining accurate and robust material discrimination performance. That is because the energy separation by either FKS or DL-FPD, alone, is still limited, along with apparently unpaired signal levels in the effective low- and high-energy projections in real applications, not to mention the x-ray scatter in cone-beam scan which will make the material decomposition almost impossible if no correction is applied. To further improve CBCT spectral imaging capability, this work aims to promote a source-detector joint multi-energy spectral imaging solution which takes advantages of both FKS and DL-FPD, and to conduct a feasibility study on the first tabletop CBCT system with the joint spectral imaging capability developed. Methods. For CBCT, development of multi-energy spectral imaging can be jointly realized by using an x-ray source with a generator whose kilo-voltages can alternate in tens of Hertz (i.e. FKS), and a DL-FPD whose top- and bottom-layer projections corresponds to different effective energy levels. Thanks to the complimentary characteristics inherent in FKS and DL-FPD, the overall energy separation will be significantly better when compared with FKS or DL-FPD alone, and the x-ray photon detection efficiency will be also improved when compared with FKS alone. In this work, a noise performance analysis using the Cramér–Rao lower bound (CRLB) method is conducted. The CRLB for basis material after a projection-domain material decomposition is derived, followed by a set of numerical calculations of CRLBs, for the FKS, the DL-FPD and the joint solution, respectively. To compensate for the slightly angular mismatch between low- and high- projections in FKS, a dual-domain projection completion scheme is implemented. Afterwards material decomposition from the complete projection data is carried out by using the maximum-likelihood method, followed by reconstruction of basis material and virtual monochromatic images (VMI). In this work, the first FKS and DL-FPD jointly enabled multi-energy tabletop CBCT system, to the best of our knowledge, has been developed in our laboratory. To evaluate its spectral imaging performance, a set of physics experiments are conducted, where the multi-energy and head phantoms are scanned using the 80/105/130 kVp switching pairs and projection data are collected using a prototype DL-FPD, whose both top and bottom layer of panels are composed of 550 μ m of cesium iodine (CsI) scintillators with no intermediate metal filter in-between. Results. The numerical simulations show that the joint spectral imaging solution can lead to a significant improvement in energy separation and lower noise levels in most of material decomposition cases. The physics experiments confirmed the feasibility and superiority of the joint spectral imaging, whose CNRs in the selected regions of interest of the multi-energy phantom were boosted by an average improvement of 21.9%, 20.4% for water basis images and 32.8%, 62.8% for iodine images when compared with that of the FKS and DL-FPD, respectively. For the head phantom case, the joint spectral imaging can effectively reduce the streaking artifacts as well, and the standard deviation in the selected regions of interest are reduced by an average decrement of 19.5% and 8.1% for VMI when compared with that of the FKS and DL-FPD, respectively. Conclusions. A feasibility study of the joint spectral imaging solution for CBCT by utilizing both the FKS and DL-FPD was conducted, with the first tabletop CBCT system having such a capability being developed, which exhibits improved CNR and is more effective in avoiding streaking artifacts as expected. [ABSTRACT FROM AUTHOR]

Sub‐monolayer networks of the electron‐transporting semiconducting polymer poly([N,N'‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)−2,6‐diyl]‐alt‐5,5′‐(2,2′‐bithiophene)) (P(NDI2OD‐T2)) are realized through judicious choice of spin‐coating solvent and control of solution concentration. These sub‐monolayer networks provide a platform to study the effects of surface coverage, network connectivity, and orientational order on charge transport. It is found that charge transport through semiconducting polymer networks depends not only on the coverage/concentration of the material but also on the nature of the conduction paths themselves. Down to 40% surface coverage, current measured in a field‐effect architecture decreases in line with the decrease in surface coverage, but drops precipitously below a surface coverage of 40%. Below 40% surface coverage, there is a marked decrease in network connectivity (quantified through the branching point density) and a decrease in orientational order. Furthermore, an increase in the density of dangling branches (dead ends) is also seen with decreasing surface coverage. Additional supporting data in the form of grazing incidence wide‐angle X‐ray scattering (GIWAXS), optical spectroscopy, and charge modulation spectroscopy are presented, which help to establish that long‐range interconnectivity rather than local morphology dominates charge transport in P(NDI2OD‐T2) sub‐monolayers as well as thin films. [ABSTRACT FROM AUTHOR]

Understanding the interplay between charge, nematic, and structural ordering tendencies in cuprate superconductors is critical to unraveling their complex phase diagram. Using pump-probe time-resolved resonant X-ray scattering on the (0 0 1) Bragg peak at the Cu L3 and O K resonances, we investigate nonequilibrium dynamics of Qa = Qb = 0 nematic order and its association with both charge density wave (CDW) order and lattice dynamics in La1.65Eu0.2Sr0.15CuO4. The orbital selectivity of the resonant X-ray scattering cross-section allows nematicity dynamics associated with the planar O 2p and Cu 3d states to be distinguished from the response of anisotropic lattice distortions. A direct time-domain comparison of CDW translational symmetry breaking and nematic rotational-symmetry breaking reveals that these broken symmetries remain closely linked in the photoexcited state, consistent with the stability of CDW topological defects in the investigated pump fluence regime. [ABSTRACT FROM AUTHOR]

The capillary wave model of a liquid surface predicts both the X‐ray specular reflection and the diffuse scattering around it. A quantitative method is presented to obtain the X‐ray reflectivity (XRR) from a liquid surface through the diffuse scattering data around the specular reflection measured using a grazing incidence X‐ray off‐specular scattering (GIXOS) geometry at a fixed horizontal offset angle with respect to the plane of incidence. With this approach the entire Qz‐dependent reflectivity profile can be obtained at a single, fixed incident angle. This permits a much faster acquisition of the profile than with conventional reflectometry, where the incident angle must be scanned point by point to obtain a Qz‐dependent profile. The XRR derived from the GIXOS‐measured diffuse scattering, referred to in this paper as pseudo‐reflectivity, provides a larger Qz range compared with the reflectivity measured by conventional reflectometry. Transforming the GIXOS‐measured diffuse scattering profile to pseudo‐XRR opens up the GIXOS method to widely available specular XRR analysis software tools. Here the GIXOS‐derived pseudo‐XRR is compared with the XRR measured by specular reflectometry from two simple vapor–liquid interfaces at different surface tension, and from a hexadecyltrimethylammonium bromide monolayer on a water surface. For the simple liquids, excellent agreement (beyond 11 orders of magnitude in signal) is found between the two methods, supporting the approach of using GIXOS‐measured diffuse scattering to derive reflectivities. Pseudo‐XRR obtained at different horizontal offset angles with respect to the plane of incidence yields indistinguishable results, and this supports the robustness of the GIXOS‐XRR approach. The pseudo‐XRR method can be extended to soft thin films on a liquid surface, and criteria are established for the applicability of the approach. [ABSTRACT FROM AUTHOR]

Controlling the shape and size dispersivity and crystallinity of nanoparticles (NPs) has been a challenge in identifying these parameters' role in the physical and chemical properties of NPs. The need for reliable quantitative tools for analyzing the dispersivity and crystallinity of NPs is a considerable problem in optimizing scalable synthesis routes capable of controlling NP properties. The most common tools are electron microscopy (EM) and X‐ray scattering techniques. However, each technique has different susceptibility to these parameters, implying that more than one technique is necessary to characterize NP systems with maximum reliability. Wide‐angle X‐ray scattering (WAXS) is mandatory to access information on crystallinity. In contrast, EM or small‐angle X‐ray scattering (SAXS) is required to access information on whole NP sizes. EM provides average values on relatively small ensembles in contrast to the bulk values accessed by X‐ray techniques. Besides the fact that the SAXS and WAXS techniques have different susceptibilities to size distributions, SAXS is easily affected by NP–NP interaction distances. Because of all the variables involved, there have yet to be proposed methodologies for cross‐analyzing data from two techniques that can provide reliable quantitative results of dispersivity and crystallinity. In this work, a SAXS/WAXS‐based methodology is proposed for simultaneously quantifying size distribution and degree of crystallinity of NPs. The most reliable easy‐to‐access size result for each technique is demonstrated by computer simulation. Strategies on how to compare these results and how to identify NP–NP interaction effects underneath the SAXS intensity curve are presented. Experimental results are shown for cubic‐like CeO2 NPs. WAXS size results from two analytical procedures are compared, line‐profile fitting of individual diffraction peaks in opposition to whole pattern fitting. The impact of shape dispersivity is also evaluated. Extension of the proposed methodology for cross‐analyzing EM and WAXS data is possible. [ABSTRACT FROM AUTHOR]

Depth-selective x-ray diffraction (XRD) technique was developed. In this technique, XRD spectra were measured using an energy dispersive (ED) x-ray detector at fixed angles. A straight capillary optic was used to define the incident x-ray beam, and a second straight capillary defined the beam path from the sample to detector. Thereby, only the XRD spectrum at the small intersection of two capillary optics could be obtained. A depth-selective XRD is possible by changing the sample position in depth. Many XRD peaks appear in a high-energy range more than 10 keV in the ED spectrum. The detection of these peaks will be advantageous for depth analysis because of low absorption in the sample. Depth-selective measurement would be advantageous over general XRD. In this study, depth-selective and ED-XRD spectra are demonstrated for the layered sample, which consisted of film-like Si powder and a muscovite film. [ABSTRACT FROM AUTHOR]

Dielectric elastomers, such as thermoplastic polyurethanes (TPUs), are widely used as the dielectric layer, encapsulation layer, and substrate of flexible and stretchable devices. To construct capacitors and actuators that work stably upon deformation, it has become urgent to investigate the evolution of dielectricity under stress and strain. However, the lack of effective methods for estimating the dielectric constant of elastomers under strain poses a big challenge. This study reports a device for the in situ measurement of the dielectric constant of TPU under strain. It is found that upon stretching TPU to a strain of 400%, its dielectric constant decreases from 8.02 ± 0.01 to 2.88 ± 0.25 (at 1 MHz). In addition, combined Fourier-transform infrared spectroscopy, the X-ray scattering technique, and atomic force microscopy were utilized to characterize the evolution of the microstructure under strain. The investigation under tensile strain reveals a decreased density and average size of polarized hard domains, along with a tendency of the molecular chains to align in parallel with the tensile stress. The evolution of the microstructures results in a reduction in the measured dielectric constant in TPU. [ABSTRACT FROM AUTHOR]

We carried out an in-depth study on structural characteristics, both primary and conformational structure in solution of a novel sulfated polysaccharide from green seaweed Codium geppiorum collected in central coast of Vietnam. Primary structure of the polysaccharide was determined mainly by NMR spectra, while conformation was elucidated by using small-angle X-ray scattering method. The polysaccharide was evaluated for its cytotoxic effects on three human cancer cell lines. The results indicated that dominant structure of Codium geppiorum polysaccharide is a linear sulfated galactan, and it was composed of → 4)-β-D-Galp3S-(1 → , → 3)-β-D-Galp4S-(1 → and → 3)-β-D-Galp-(1 → residues connected through 1,3-linkages. The polysaccharide has a rodlike conformation in aqueous solution, and it shows chain association with cross-sectional radius of gyration, Rgc, around 0.70 nm as estimated from small-angle X-ray scattering measurements. The polysaccharide exhibited a significant cytotoxic activity against HT29 (colorectal adenocarcinoma), 8505c (undifferentiated thyroid carcinomas) and Hela (cervical cancer) human cancer cell lines with IC50 values of 51.85 ± 2.30, 89.30 ± 2.35 and 72.22 ± 6.73 µg/mL, respectively. [ABSTRACT FROM AUTHOR]

Resonant scattering (RS) of X-ray line emission in supernova remnants (SNRs) may modify the observed line profiles and fluxes and has a potential impact on estimating the physical properties of the hot gas and hence on understanding the SNR physics, but has not been theoretically modeled ever. Here we present our Monte Carlo simulation of the RS effect on X-ray resonant-line emission, typified by the O vii He α r line, from SNRs. We employ the physical conditions characterized by the Sedov–Taylor solution and some basic parameters similar to those in Cygnus Loop. We show that the impact of the RS effect is most significant near the edge of the remnant. The line profiles are predicted to be asymmetric because of different temperatures and photon production efficiencies of the expanding gas at different radii. We also predict the surface brightness of the line emission would decrease in the outer projected region but is slightly enhanced in the inner. The G-ratio of the O vii He α triplet can be effectively elevated by RS in the outer region. We show that the RS effect of the O vii He α r line in the southwestern boundary region of Cygnus Loop is nonnegligible. The observed O vii G-ratio of ∼1.8 of the region could be achieved with RS taken into account for properly elevated O abundance from the previous estimates. Additional simulation performed for the SNRs in ejecta-dominated phases like Cas A shows that RS in the shocked ejecta may have some apparent effects on the observational properties of oxygen-resonant lines. [ABSTRACT FROM AUTHOR]

Understanding the interplay between charge, nematic, and structural ordering tendencies in cuprate superconductors is critical to unraveling their complex phase diagram. Using pump-probe time-resolved resonant X-ray scattering on the (0 0 1) Bragg peak at the Cu L3 and O K resonances, we investigate nonequilibrium dynamics of Qa = Qb = 0 nematic order and its association with both charge density wave (CDW) order and lattice dynamics in La1.65Eu0.2Sr0.15CuO4. The orbital selectivity of the resonant X-ray scattering cross-section allows nematicity dynamics associated with the planar O 2p and Cu 3d states to be distinguished from the response of anisotropic lattice distortions. A direct time-domain comparison of CDW translational symmetry breaking and nematic rotational-symmetry breaking reveals that these broken symmetries remain closely linked in the photoexcited state, consistent with the stability of CDW topological defects in the investigated pump fluence regime. [ABSTRACT FROM AUTHOR]

To address the shortage of public datasets for customs X-ray images of contraband and the difficulties in deploying trained models in engineering applications, a method has been proposed that employs the Extract-Transform-Load (ETL) approach to create an X-ray dataset of contraband items. Initially, X-ray scatter image data is collected and cleaned. Using Kafka message queues and the Elasticsearch (ES) distributed search engine, the data is transmitted in real-time to cloud servers. Subsequently, contraband data is annotated using a combination of neural networks and manual methods to improve annotation efficiency and implemented mean hash algorithm for quick image retrieval. The method of integrating targets with backgrounds has enhanced the X-ray contraband image data, increasing the number of positive samples. Finally, an Airport Customs X-ray dataset (ACXray) compatible with customs business scenarios has been constructed, featuring an increased number of positive contraband samples. Experimental tests using three datasets to train the Mask Region-based Convolutional Neural Network (Mask RCNN) algorithmandtestedon400 real customs images revealed that the recognition accuracy of algorithms trained with Security Inspection X-ray (SIXray) and Occluded Prohibited Items X-ray (OPIXray) decreased by 16.3% and 15.1%, respectively, while the ACXray dataset trained algorithm's accuracy was almost unaffected. This indicates that the ACXray dataset-trained algorithm possesses strong generalization capabilities and is more suitable for customs detection scenarios. [ABSTRACT FROM AUTHOR]

Research and development of novel fluorine‐free materials to replace fluorinated aqueous film‐forming foam (AFFF) are crucial for improving pool fire suppression performance and protecting the environment. In this study, we report the thermo‐responsive fluorine‐free foam stabilized by triblock PEO–PPO–PEO copolymers (EO)100(PO)65(EO)100 for pool fire suppression. Small‐angle X‐ray scattering (SAXS) and reflected light interferometric techniques are conducted to study the molecular self‐assembly in bulk and film thinning behavior, and the foaming kinetics of copolymer solution and thermophysical properties of the liquid foam are studied by dynamic surface tension and oscillatory rheology analysis. At room temperature, the amphipathic structure of PEO–PPO–PEO makes it possible to absorb at the air–liquid interface forming large‐scale liquid foams containing the mobile films with a detergent state. Upon heating to the surface cooling temperature of burning oil, the mobile films can be actively switched into mechanically strong films with rigid surfaces. The in situ switching of the two interfacial states leads to the significant enhancement of the foam stability, especially under the dual defoaming effects of heat and oil. What's more, it is observed that the confinement of organized copolymer micelles in the Plateau borders and micellar self‐layering in film confinement induce drainage delay of foam and film's stepwise thinning phenomenon, further increasing film thickness and enhancing the thermal stability of the foam. In standard fire‐fighting tests, it is proved that the burnback performance exhibited by thermo‐responsive copolymer foams is three times better than that for classical fluorine‐free foams and almost 1.5 times higher than that for commercial AFFF. [ABSTRACT FROM AUTHOR]

Organic scintillators have recently gained considerable attentions in X‐ray detection for their potential applications in biomedical radiograph and security inspection. However, the weak X‐ray absorption and/or inefficient exciton utilization have limited the development and commercialization of organic scintillators. Currently, high‐performance X‐ray organic scintillators are scarce and organic scintillators with dual triplet‐harvesting channels have not been explored before. Here, we develop several proof‐of‐concept sulfone‐based organic molecules, C1–C7, using different alkoxy chains to manipulate molecular packing mode. These materials exhibit dual triplet‐harvesting channels of thermally activated delayed fluorescence (TADF) and room‐temperature phosphorescence (RTP) in aggregated state. Inspiringly, these molecules display distinct radioluminescence under the X‐ray stimulation. Among them, C6 behaves the highest light yield of 16,558 photons MeV−1. Moreover, clear X‐ray images are demonstrated in both aggregated state and single‐molecule level. High spatial resolutions of 15.0 and 10.6 line pairs per millimeter (lp mm−1) are achieved for rigid and flexible scintillator screens, exceeding most reported organic and conventional inorganic scintillators. These results highlight the great potential of organic molecules with TADF and RTP nature for efficient X‐ray scintillation and imaging. [ABSTRACT FROM AUTHOR]

Binary and ternary blends of amylose (AM), polylactic acid (PLA), and glycerol were prepared using a Pickering emulsion approach. Various formulations of AM/PLA with low PLA contents ranging from 3% to 12% were mixed with AM matrix and reinforced with 25% cellulose nanofibers (CNF), and PLA-grafted cellulose nanofibers (g-CNF), the latter to enhance miscibility. Polymeric films were fabricated through solvent casting and characterized using Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), and Wide-Angle X-ray Scattering (WAXS), and the evaluations of physical, mechanical properties, and wettability were performed using contact angle measurements. The binary blends of AM and PLA produced films suitable for packaging, pharmaceutical, or biomedical applications with excellent water barrier properties. The ternary blends of AM/CNF/PLA and AM/g-CNF/PLA nanocomposite films demonstrated enhanced tensile strength and reduced water permeability compared to AM/PLA films. Adding g-CNF resulted in better homogeneity and increased relative crystallinity from 33% to 35% compared to unmodified CNF. The application of Pickering emulsion in creating AM-based CNF/ PLA composites resulted in a notable enhancement in tensile strength by 47%. This study presents an effective approach for producing biodegradable and reinforced PLA-based nanocomposite films, which show promise as bio-nanocomposite materials for food packaging applications. [ABSTRACT FROM AUTHOR]

In many food applications, the mechanical properties of fats play a critical role in determining the processing performance of fat-rich products. In fact, fat crystal networks form a particular class of soft materials that exhibit viscoelastic properties. The uniqueness of the mechanical response is intricately linked to the hierarchical nature of the system, as fats possess a complex architecture encompassing features at different scale levels (i.e., length scales). Since the discovery of crystalline nanoplatelets (CNPs), it has been hypothesized that CNPs are the basic building blocks of lipid networks and that CNPs are the responsible units for the mechanical properties of fats. This hypothesis, however, has only been partially tested. In this article, we examine which units could be responsible (e.g., lamellae, CNP, CNP aggregates) for the mechanical breakdown of fat crystal networks, through Rheo-USAXS in beamline ID02 (ESRF, Grenoble, France). Time-resolved USAXS profiles were acquired during the three steps of a three-interval thixotropy test (3iTT), namely, pre-shear, shear and recovery. The results were then utilized to evidence which specific length scale is arranged (i.e., orientated) during rheological breakdown. The findings suggest that, at the tested shear rates, orientation is only visible from 250 nm onwards, suggesting that the rheological breakdown of triglycerides is primarily driven by the orientation, and possible disruption, of CNP aggregates. These results reveal the critical role of CNP aggregates in the mechanical properties of fats. In the longer term, we believe this study will steer future research toward a more focused understanding of CNP aggregation and disaggregation dynamics. [ABSTRACT FROM AUTHOR]

Summary: X‐ray scattering experiments using free electron lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID‐19 viral proteins). XFEL experiments are a challenge to computing in two ways: (i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; (ii) data‐collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min—sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS‐NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Completing data analysis within 10 min is a first for XFEL experiments and an important milestone if we are to keep up with data‐collection trends. [ABSTRACT FROM AUTHOR]

The precise control and understanding of crystal orientation in perovskite polycrystalline films are crucial for the development of efficient and stable devices. However, achieving this control remains a significant challenge. Herein, a PbI2 oriented growth strategy is developed, combined with in situ vapor–solid reaction transformations, to achieve oriented growth of full‐vacuum perovskite films. Grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) analysis revealed the general pattern of PbI2 oriented vapor growth and in situ vapor–solid reaction transformation in this two‐step process. The resulting preferred orientation has effectively reduced trap state density, optimizing the carrier dynamics. As a result, champion efficiencies of 22.11% (0.148 cm2), 20.60% (1 cm2), and 19.41% (5 × 5 cm2 mini‐modules) are achieved, which are the highest value for perovskite based on vapor–solid reaction. Additionally, the oriented growth method is applicable to a variety of guide layers and is extended to 30 × 30 cm2 film, demonstrating the universality and scalability of the method. [ABSTRACT FROM AUTHOR]

The interplay of electron-electron and electron-lattice interactions plays an important role in determining exotic properties in strongly correlated electron systems. Of particular interest is quasi-one-dimensional SrNbOx metals, which are perovskite-related layered Carpy-Galy phases. Quasi-one-dimensional metals often exhibit a charge density wave (CDW) accompanied by lattice distortion; however, to date, the presence of a CDW in a quasi-one-dimensional metallic Carpy-Galy phase has not been detected. Here, we report the discovery of two distinct and simultaneous commensurate CDWs in Sr0.95NbO3.37 using resonant soft X-ray scattering (RSXS), namely, an electronic-(001) superlattice below ~ 200 K and an electronic-(002) Bragg peak. We also observe a non-electronic-(002) Bragg peak showing lattice distortion below ~ 150 K. Through the temperature dependence and resonance profile of these CDWs and the lattice distortion, as well as the relationship between the wavelength and charge density, these CDWs are determined to be Wigner crystals and Peierls-like instabilities, respectively. The electron‒electron interaction is strong and dominant even up to 350 K, and upon cooling, it drives the electron–lattice interaction. The correlation length of the electronic-(001) superlattice is surprisingly larger than that of the electronic-(002) Bragg peak, and the superlattice is highly anisotropic. Supported by theoretical calculations, the CDWs are determined by the charge anisotropy and redistribution between the O-2p and Nb-4d orbitals, and the strength of the electronic-(001) superlattice is within the strong coupling limit. Groundbreaking Discovery: Electron–Electron Interaction Dominates in Sr0.95NbO3.37 Understanding how electrons interact in materials is vital for fundamental research and creating new technologies. However, the connection between different CDWs and their impact on materials, particularly inorganic systems, is unclear. The study, led by Andrivo Rusydi, aimed to understand CDWs in a specific crystal type, a quasi-one-dimensional metal. Rusydi and his team used resonant soft X-ray scattering to identify two distinct CDWs in one crystal. Their results showed that the Wigner crystal appeared without any crystal structure changes, while the Peierls-like instability was associated with a crystal distortion. These findings suggest that strong electron-electron interactions can drive changes in the crystal lattice, leading to different CDWs. This research offers new insights into the complex relationship between electron interactions and CDWs in inorganic materials. The advancements made in this study could impact future electronic devices development and understanding superconductivity. This summary was initially drafted using artificial intelligence, then revised and fact-checked by the author. The interplay of electron-electron and electron-lattice interactions plays an important role in determining exotic properties in strongly correlated electron systems. Here, we report the discovery of two distinct and simultaneous commensurate CDWs, Wigner crystal and Peierls-like instabilities, in Sr0.95NbO3.37 using resonant soft X-ray scattering. These CDWs arise from charge anisotropy and redistribution in Nb 4d – O 2p hybridization and influence transport and optical gaps. The strength of Wigner crystal is within the strong coupling limit. This study paves the way for utilizing RSXS to distinguish CDWs and calls for further investigation of electron‒electron and electron–lattice interactions in inorganic systems [ABSTRACT FROM AUTHOR]

Skyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination of ferromagnetic resonance and REXS, penalizes placing a skyrmion core on a site of the atomic lattice. Under these conditions, a commensurate SkL, locked to the crystal lattice, is stable at finite temperatures – but gives way to a competing incommensurate ground state upon cooling. We discuss the role of Umklapp-terms in the Hamiltonian for the formation of this lattice-locked state, its magnetic space group, and the role of slight discommensurations, or (line) defects in the magnetic texture. We also contrast our findings with the case of SkLs in noncentrosymmetric material platforms. [ABSTRACT FROM AUTHOR]

The thickness of the scintillation films in indirect X−ray detectors can significantly influence their luminescence intensity. However, due to the scattering and attenuation of incoherent photons, thick scintillation films tend to reduce light yield. Herein, a highly transparent perovskite glass−ceramic scintillation film, in which the CsPbBr3 nanocrystals are in-situ grown inside a transparent amorphous polymer structure, is designed to achieve ultrastable and efficient X-ray imaging. The crystal coordination−topology growth and in−situ film formation strategy is proposed to control the crystal growth and film thickness, which can prevent light scattering and non−uniform distribution of CsPbBr3 nanocrystals while providing sufficient film thickness to absorb X−ray, thus enabling a high−quality glass−ceramic scintillator without agglomeration and Ostwald ripening. This glass−ceramic scintillation film with a thickness of 250 μm achieves a low detection limit of 326 nGyair s−1 and a high spatial resolution of 13.9 lp mm−1. More importantly, it displays remarkable scintillation stability under X−ray irradiation (radiation intensity can still reach 95% at 278 μGyair s−1 for 3600 s), water soaking (150 days), and high−temperature storage (150 days at 60 °C). Hence, this work presents a approach to construct ultrastable and flexible scintillation films for X−ray imaging with reduced light scattering and improved resolution. [ABSTRACT FROM AUTHOR]

The ability to study chemical dynamics on ultrafast timescales has greatly advanced with the introduction of X-ray free electron lasers (XFELs) providing short pulses of intense X-rays tailored to probe atomic structure and electronic configuration. Fully exploiting the full potential of XFELs requires specialized experimental endstations along with the development of techniques and methods to successfully carry out experiments. The liquid jet endstation (LJE) at the Linac Coherent Light Source (LCLS) has been developed to study photochemistry and biochemistry in solution systems using a combination of X-ray solution scattering (XSS), X-ray absorption spectroscopy (XAS), and X-ray emission spectroscopy (XES). The pump–probe setup utilizes an optical laser to excite the sample, which is subsequently probed by a hard X-ray pulse to resolve structural and electronic dynamics at their intrinsic femtosecond timescales. The LJE ensures reliable sample delivery to the X-ray interaction point via various liquid jets, enabling rapid replenishment of thin samples with millimolar concentrations and low sample volumes at the 120 Hz repetition rate of the LCLS beam. This paper provides a detailed description of the LJE design and of the techniques it enables, with an emphasis on the diagnostics required for real-time monitoring of the liquid jet and on the spatiotemporal overlap methods used to optimize the signal. Additionally, various scientific examples are discussed, highlighting the versatility of the LJE. [ABSTRACT FROM AUTHOR]

Lipid nanoparticles own a remarkable potential in nanomedicine, only partially disclosed. While the clinical use of liposomes and cationic lipid-nucleic acid complexes is well-established, liquid lipid nanoparticles (nanoemulsions), solid lipid nanoparticles, and nanostructured lipid carriers have even greater possibilities. However, they face obstacles in being used in clinics due to a lack of understanding about the molecular mechanisms controlling their drug loading and release, interactions with the biological environment (such as the protein corona), and shelf-life stability. To create effective drug delivery carriers and successfully translate bench research to clinical settings, it is crucial to have a thorough understanding of the internal structure of lipid nanoparticles. Through synchrotron small-angle X-ray scattering experiments, we determined the spatial distribution and internal structure of the nanoparticles' lipid, surfactant, and the bound water in them. The nanoparticles themselves have a barrel-like shape that consists of coplanar lipid platelets (specifically cetyl palmitate) that are covered by loosely spaced polysorbate 80 surfactant molecules, whose polar heads retain a large amount of bound water. To reduce the interface cost of bound water with unbound water without stacking, the platelets collapse onto each other. This internal structure challenges the classical core-shell model typically used to describe solid lipid nanoparticles and could play a significant role in drug loading and release, biological fluid interaction, and nanoparticle stability, making our findings valuable for the rational design of lipid-based nanoparticles. [ABSTRACT FROM AUTHOR]

The wide tunability of strongly correlated transition metal (TM) oxides stems from their complex electronic properties and the coupled degrees of freedom. Among the perovskite oxides family, LaMO3 (M = Ti-Ni) allows an M-dependent systematic study of the electronic structure within the same-structure-family motif. While most of the studies have been focusing on the 3d TMs and oxygen sites, the role of the rare-earth site has been far less explored. In this work, we use resonant inelastic X-ray scattering (RIXS) at the lanthanum N4,5 edges and density functional theory (DFT) to investigate the hybridization mechanisms in LaMO3. We link the spatial-overlap-driven hybridization to energetic-overlap-driven hybridization by comparing the RIXS chemical shifts and the DFT band widths. The scope is extended to highly covalent Ruddlesden-Popper perovskite La2CuO4 by intercalating lanthanum atoms to rock-salt layers. Our work evidences an observable contribution of localized lanthanum 5p and 4f orbitals in the band structure. Understanding the hybridization due to orbital overlap in solids allows justification for adjusting electron correlation and hopping integral under the Hubbard model. This work links spatial-overlap-driven to energetic-overlap-driven hybridization from perovskite oxides by resonant inelastic X-ray scattering at La N4,5 edges. [ABSTRACT FROM AUTHOR]

The wide tunability of strongly correlated transition metal (TM) oxides stems from their complex electronic properties and the coupled degrees of freedom. Among the perovskite oxides family, LaMO3 (M = Ti-Ni) allows an M-dependent systematic study of the electronic structure within the same-structure-family motif. While most of the studies have been focusing on the 3d TMs and oxygen sites, the role of the rare-earth site has been far less explored. In this work, we use resonant inelastic X-ray scattering (RIXS) at the lanthanum N4,5 edges and density functional theory (DFT) to investigate the hybridization mechanisms in LaMO3. We link the spatial-overlap-driven hybridization to energetic-overlap-driven hybridization by comparing the RIXS chemical shifts and the DFT band widths. The scope is extended to highly covalent Ruddlesden-Popper perovskite La2CuO4 by intercalating lanthanum atoms to rock-salt layers. Our work evidences an observable contribution of localized lanthanum 5p and 4f orbitals in the band structure. Understanding the hybridization due to orbital overlap in solids allows justification for adjusting electron correlation and hopping integral under the Hubbard model. This work links spatial-overlap-driven to energetic-overlap-driven hybridization from perovskite oxides by resonant inelastic X-ray scattering at La N4,5 edges. [ABSTRACT FROM AUTHOR]

The progress of stretchable and wearable photovoltaics relies heavily on intrinsically stretchable active layer films. Nevertheless, there is a paucity of research clarifying the connections between their microstructure, performance, and their adaptation to large strain in polymer electronic films. The current study utilizes multiple synchrotron X‐ray scattering methods to collectively examine the correlations between morphology and stretchability, as well as the microstructural evolution induced by stretching in three sample cases of highly stretchable ternary blend films. These blends contain over 30% by weight of a polymer elastomer, such as styrene‐ethylene‐butylene‐styrene block copolymer, integrated into the high‐performance polymer:nonfullerene small molecule mixture. Specifically, the real‐time microstructural changes of these durable organic photovoltaic films with elastomers are monitored when subjected to tensile stretching through in situ synchrotron X‐ray scattering. The experiments demonstrate that polymeric elastomers can effectively lower the degree of crystallinity in films and deform the crystallites of semiconductor molecules. The elastomeric component aids in stress dispersion during stretching, thereby improving the microstructural durability of blend films. This study provides new recommendations for advancing stretchable organic optoelectronic devices. [ABSTRACT FROM AUTHOR]

Hydrogen-bonded organic frameworks (HOFs) are versatile materials with potential applications in proton conduction. Traditional approaches involve incorporating humidity control to address grain boundary challenges for proton conduction. This study finds vitrification as an alternative strategy to eliminate grain boundary effect in HOFs by rapidly melt quenching the kinetically stable HOF-SXU-8 to glassy state HOF-g. Notably, a remarkable enhancement in proton conductivity without humidity was achieved after vitrification, from 1.31 × 10−7 S cm−1 to 5.62× 10−2 S cm−1 at 100 °C. Long term stability test showed negligible performance degradation, and even at 30 °C, the proton conductivity remained at high level of 1.2 × 10−2 S cm−1. Molecule dynamics (MD) simulations and X-ray total scattering experiments reveal the HOF-g system is consisted of three kinds of clusters, i.e., 1,5-Naphthalenedisulfonic acid (1,5-NSA) anion clusters, N,N-dimethylformamide (DMF) molecule clusters, and H+-H2O clusters. In which, the H+ plays an important role to bridge these clusters and the high conductivity is mainly related to the H+ on H3O+. These findings provide valuable insights for optimizing HOFs, enabling efficient proton conduction, and advancing energy conversion and storage devices. Proton conduction is one of the interesting applications of hydrogen-bonded organic frameworks. Here, the authors report hydrogen-bonded organic framework that can be transformed into glassy state, effectively mitigating grain boundary effects, and significantly enhancing proton conduction performance. [ABSTRACT FROM AUTHOR]

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop (SRW) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data. [ABSTRACT FROM AUTHOR]

Chitin, a ubiquitous biopolymer, holds paramount scientific and economic significance. Historically, it has been primarily isolated from marine crustaceans. However, the surge in demand for chitin and the burgeoning interest in biopolymers have necessitated the exploration of alternative sources. Among these methods, the mulberry silkworm (Bombyx mori) has emerged as a particularly intriguing prospect. To isolate chitin from Bombyx mori, a chemical extraction methodology was employed. This process involved a series of meticulously orchestrated steps, including Folch extraction, demineralization, deproteinization, and decolorization. The resultant chitin was subjected to comprehensive analysis utilizing techniques such as attenuated total reflectance–Fourier transform infrared spectroscopy (ATR-FTIR), 13C nuclear magnetic resonance (NMR) spectroscopy, and wide-angle X-ray scattering (WAXS). The obtained results allow us to conclude that the Bombyx mori represents an attractive alternative source of α-chitin. [ABSTRACT FROM AUTHOR]

This article provides an overview of surface sensitive X-ray techniques, explaining how scientists use X-rays to study the atomic and electronic structure of matter. It discusses the concept of surface sensitivity and the methods used to achieve it in X-ray scattering experiments. The article also introduces a new method called surface sensitive measurement of the Pair Distribution Function (sPDF) for studying the atomic structure of surface layers. It discusses mathematical representations of sample surfaces, the use of crystals in extracting surface scattering information, and the technique of X-ray reflectivity. The article outlines the requirements and preconditions for conducting surface sensitive X-ray experiments and discusses different setups and advancements in the field. It concludes by discussing future directions for surface sensitive X-ray scattering methods. [Extracted from the article]

Spherically bent crystal analyzers (SBCAs) are the dominant high-resolution hard X-ray optic in the ongoing rebirth of laboratory-based X-ray absorption fine structure (XAFS) and X-ray emission spectroscopy (XES) as well as in synchrotron methods such as high energy resolution fluorescence detection (HERFD) and non-resonant X-ray Raman scattering (XRS). In the overwhelming majority of cases, SBCAs are implemented in a 'symmetric' configuration on the Rowland circle, wherein the diffracting crystal plane is nominally coincident with the analyzer surface. We report here comprehensive investigations of 'asymmetric' operation of SBCA on the Rowland circle, wherein the diffracting crystal plane is not coincident with the optical surface of the analyzer. First, we have developed a laboratory spectrometer for XAFS and XES that is specialized for asymmetric SBCA operation. We find several benefits, including the capacity to use a single SBCA over a very wide energy range via 'hkl hopping' and the frequent ability to eliminate Johann error, the most prevalent energy-broadening mechanism when using SBCA symmetrically on the Rowland circle. Second, we expand these ideas to synchrotron facilities with a demonstration study of HERFD and XRS where asymmetric operation also provided advantage. Our results suggest that large-array systems for HERFD augmented with an additional mechanical degree of freedom could streamline user operation and also indicate benefits to XRS in the asymmetric configuration, where larger solid angle, larger sample-to-detector distance, and decreased Johann error can be achieved simultaneously. [ABSTRACT FROM AUTHOR]

The detection of inelastically scattered soft x-rays with high energy resolution usually requires large grating spectrometers. Recently, photoelectron spectrometry for analysis of x-rays (PAX) has been rediscovered for modern spectroscopy experiments at synchrotron light sources. By converting scattered photons to electrons and using an electron energy analyser, the energy resolution for resonant inelastic x-ray scattering (RIXS) becomes decoupled from the x-ray spot size and instrument length. In this work, we develop PAX towards high energy resolution using a modern photoemission spectroscopy setup studying Ba2Cu3O4Cl2 at the Cu L 3-edge. We measure a momentum transfer range of 24% of the first Brillouin zone simultaneously. Our results hint at the observation of a magnon excitation below 100 meV energy transfer and show intensity variations related to the dispersion of dd -excitations. With dedicated setups, PAX can complement the best and largest RIXS instruments, while at the same time opening new opportunities to acquire RIXS at a range of momentum transfers simultaneously and combine it with angle-resolved photoemission spectroscopy in a single instrument. [ABSTRACT FROM AUTHOR]

Photolabile (µ-peroxo)(µ-hydroxo)bis[bis(bipyridyl)-cobalt-based caged oxygen compounds have been synthesized and characterized by optical absorbance spectroscopy, X-ray crystallography. and the quantum yield and redox stability were investigated. Furthermore, conditions were established where redox incompatibilities encountered between caged oxygen compounds and oxygen-dependant cytochrome c oxidase (CcO) could be circumvented. Herein, we demonstrate that millimolar concentrations of molecular oxygen can be released from a caged oxygen compound with spatio-temporal control upon laser excitation, triggering enzymatic turnover in cytochrome c oxidase. Spectroscopic evidence confirms the attainment of a homogeneous reaction initiation at concentrations and conditions relevant for further crystallography studies. This was demonstrated by the oxidizing microcrystals of reduced CcO by liberation of millimolar concentrations of molecular oxygen from a caged oxygen compound. We believe this will expand the scope of available techniques for the detailed investigation of oxygen-dependant enzymes with its native substrate and facilitate further time-resolved X-ray based studies such as wide/small angle X-ray scattering and serial femtosecond crystallography. [ABSTRACT FROM AUTHOR]

Aerosol droplets are fully involved in forming clouds and play a critical role in global climate change. The investigation of the properties, speciation, and structure of aerosol droplets at a molecular level is highly needed for understanding the physicochemical behaviors and processes of aerosol droplets. We investigate the composition, speciation, and structure of a single aqueous MgSO4 droplet of 1 mm size ultrasonically levitated in the air and bulk solutions under ambient conditions by in situ Raman and synchrotron X-ray scattering. The composition and speciation are determined by measuring Raman spectra of the sulfate ion's S–O band and water's O–H bands. The X-ray data are subjected to empirical potential structure refinement modeling to extract the site–site pair correlation function, coordination number distribution, and 3-D structure for the ion solvation, association, and solvent water. In situ X-ray scattering measurements observe the crystallization of MgSO4 hydrates from a droplet. [ABSTRACT FROM AUTHOR]

A comprehensive study of the cellulose particle shape effect on electrorheological activity of their suspensions in polydimethylsiloxane was performed. Microparticles, nanorods and porous composite particles of cellulose with polyethylene glycol were considered as a filler. The structure of particles was established by a set of complementary methods, such as electron microscopy, infrared spectroscopy, and wide-angle X-ray scattering. The rheological behavior of suspensions filled by various types of particles changes under an electric field. The yield stress increases with electric field strength. The role of particle shape on the electrorheological properties of suspensions was revealed. The values of the yield stress of suspensions increase from microparticles to nanorods and porous composite particles at the same concentration and electric field strength. Porous composite particles of cellulose, a novel filler obtained by freeze-drying, demonstrates an enhanced electrorheological response compared to micro- and nanoparticles. The yield stress reaches 450 Pa at 7 kV/mm at an extremely low concentration of 1.0 wt%. Moreover, the porosity of the particles significantly increases the sedimentation stability of cellulose suspensions in polydimethylsiloxane. The high porosity of the filler makes it possible to obtain highly efficient electrorheological fluids at a sufficiently low concentration of the dispersed phase. [ABSTRACT FROM AUTHOR]

The structure of molecules, particularly the dynamic changes in structure, plays an essential role in understanding physical and chemical phenomena. Time-resolved (TR) scattering techniques serve as crucial experimental tools for studying structural dynamics, offering direct sensitivity to molecular structures through scattering signals. Over the past decade, the advent of x-ray free-electron lasers (XFELs) and mega-electron-volt ultrafast electron diffraction (MeV-UED) facilities has ushered TR scattering experiments into a new era, garnering significant attention. In this review, we delve into the basic principles of TR scattering experiments, especially focusing on those that employ x-rays and electrons. We highlight the variations in experimental conditions when employing x-rays vs electrons and discuss their complementarity. Additionally, cutting-edge XFELs and MeV-UED facilities for TR x-ray and electron scattering experiments and the experiments performed at those facilities are reviewed. As new facilities are constructed and existing ones undergo upgrades, the landscape for TR x-ray and electron scattering experiments is poised for further expansion. Through this review, we aim to facilitate the effective utilization of these emerging opportunities, assisting researchers in delving deeper into the intricate dynamics of molecular structures. [ABSTRACT FROM AUTHOR]

Palm oil (PO), a semi-solid fat at room temperature, is a popular food ingredient. To steer the fat functionality, sucrose esters (SEs) are often used as food additives. Many SEs exist, varying in their hydrophilic-to-lipophilic balance (HLB), making them suitable for various food and non-food applications. In this study, a stearic–palmitic sucrose ester with a moderate HLB (6) was studied. It was found that the SE exhibited a complex thermal behavior consistent with smectic liquid crystals (type A). Small-angle X-ray scattering revealed that the mono- and poly-esters of the SE have different packings, more specifically, double and single chain-length packing. The polymorphism encountered upon crystallization was repeatable during successive heating and cooling cycles. After studying the pure SE, it was added to palm oil, and the crystallization behavior of the mixture was compared to that of pure palm oil. The crystallization conditions were varied by applying cooling at 20 °C/min (fast) and 1 °C/min (slow) to 0 °C, 20 °C or 25 °C. The samples were followed for one hour of isothermal time. Differential scanning calorimetry (DSC) showed that nucleation and polymorphic transitions were accelerated. Wide-angle X-ray scattering (WAXS) unraveled that the α-to-β′ polymorphic transition remained present upon the addition of the SE. SAXS showed that the addition of the SE at 0.5 wt% did not significantly change the double chain-length packing of palm oil, but it decreased the domain size when cooling in a fast manner. Ultra-small-angle X-ray scattering (USAXS) revealed that the addition of the SE created smaller crystal nanoplatelets (CNPs). The microstructure of the fat crystal network was visualized by means of polarized light microscopy (PLM) and cryo-scanning electron microscopy (cryo-SEM). The addition of the SE created a finer and space-filling network without the visibility of separate floc structures. [ABSTRACT FROM AUTHOR]

The addition of methylammonium chloride (MACl) significantly improves the performance and stability of perovskite fabricated by two-step processes. However, its role in crystallization dynamics has not been thoroughly studied. In this work, a comparison study is carried out using different additions of MACl to investigate the impact of the perovskite crystallization dynamics. In situ grazing incidence wide-angle X-ray scattering (GIWAXS) observations during the annealing process of perovskite revealed that the amount of MACl significantly influences the crystallinity and orientation of the perovskite. Increasing the MACl addition enhances the crystallinity of the perovskite in the wet film's intermediate phase and strengthens the out-of-plane orientation of the FAPbI3 perovskite α-phase (001) planes during annealing. Moreover, it was found that both excessive and insufficient amounts of MACl introduce defects into the perovskite, which are detrimental to device performance. In contrast, an optimal ratio of MACl-9 mg leads to the formation of uniform and large-grained FAPbI3 perovskite films, with the longest carrier lifetimes (163.7 ns) compared to MACl-5 mg (68.4 ns) and MACl- 13 mg (120.1 ns). As a result, the fabricated MACl-9 mg-based solar cell achieved the highest efficiency (22.63%), which is higher than those of MACl-5 mg (21.47%) and MACl-13 mg (20.07%). [ABSTRACT FROM AUTHOR]