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Here, a morphologically based approach is used for the in situ characterization of 3D growth rates of facetted crystals from the solution phase. Crystal images of single crystals of the β‐form of l‐glutamic acid are captured in situ during their growth at a relative supersaturation of 1.05 using transmission optical microscopy. The crystal growth rates estimated for both the {101} capping and {021} prismatic faces through image processing are consistent with those determined using reflection light mode [Jiang, Ma, Hazlehurst, Ilett, Jackson, Hogg & Roberts (2024). Cryst. Growth Des.24, 3277–3288]. The growth rate in the {010} face is, for the first time, estimated from the shadow widths of the {021} prismatic faces and found to be typically about half that of the {021} prismatic faces. Analysis of the 3D shape during growth reveals that the initial needle‐like crystal morphology develops during the growth process to become more tabular, associated with the Zingg factor evolving from 2.9 to 1.7 (>1). The change in relative solution supersaturation during the growth process is estimated from calculations of the crystal volume, offering an alternative approach to determine this dynamically from visual observations. [ABSTRACT FROM AUTHOR]

The two most abundant CaCO3 polymorphs, calcite and aragonite, are universally recognized for the richness of their morphology to which different twins make relevant contributions. The epitaxial transformation calcite ↔ aragonite has long been debated. While the twinning has been thoroughly treated, the homo‐epitaxy occurring within each of these minerals has, inexplicably, been overlooked to date, both experimentally and theoretically. Twinning can be deceptive to the point where it can be mistaken for homo‐epitaxy, thus making the proposed growth mechanism in the crystal aggregate wrong. Within the present work, the first aim is a theoretical investigation of the homo‐epitaxies among the three {10.4}‐cleavage, {01.2}‐steep and {01.8}‐flat rhombohedra of calcite. Accordingly, the specific adhesion energies were calculated between facing crystal forms, unequivocally showing that the {01.2}/{01.8} homo‐epitaxy competes with the generation of both {01.2} and {01.8} contact twins. Secondly, the calculation of the specific adhesion energy was extended to consider homo‐epitaxy for the {10.4} rhombohedron. The two‐dimensional geometric lattice coincidence has been tried for the {00.1} pinacoidal form as well. [ABSTRACT FROM AUTHOR]

Compared with batch and vapor diffusion methods, counter diffusion can generate larger and higher‐quality protein crystals yielding improved diffraction data and higher‐resolution structures. Typically, counter‐diffusion experiments are conducted in elongated chambers, such as glass capillaries, and the crystals are either directly measured in the capillary or extracted and mounted at the X‐ray beamline. Despite the advantages of counter‐diffusion protein crystallization, there are few fixed‐target devices that utilize counter diffusion for crystallization. In this article, different designs of user‐friendly counter‐diffusion chambers are presented which can be used to grow large protein crystals in a 2D polymer microfluidic fixed‐target chip. Methods for rapid chip fabrication using commercially available thin‐film materials such as Mylar, propylene and Kapton are also detailed. Rules of thumb are provided to tune the nucleation and crystal growth to meet users' needs while minimizing sample consumption. These designs provide a reliable approach to forming large crystals and maintaining their hydration for weeks and even months. This allows ample time to grow, select and preserve the best crystal batches before X‐ray beam time. Importantly, the fixed‐target microfluidic chip has a low background scatter and can be directly used at beamlines without any crystal handling, enabling crystal quality to be preserved. The approach is demonstrated with serial diffraction of photoactive yellow protein, yielding 1.32 Å resolution at room temperature. Fabrication of this standard microfluidic chip with commercially available thin films greatly simplifies fabrication and provides enhanced stability under vacuum. These advances will further broaden microfluidic fixed‐target utilization by crystallographers. [ABSTRACT FROM AUTHOR]

Characterization of crystallization processes in situ is of great importance to furthering knowledge of how nucleation and growth processes direct the assembly of organic and inorganic materials in solution and, critically, understanding the influence that these processes have on the final physico‐chemical properties of the resulting solid form. With careful specification and design, as demonstrated here, it is now possible to bring combined X‐ray diffraction and Raman spectroscopy, coupled to a range of fully integrated segmented and continuous flow platforms, to the laboratory environment for in situ data acquisition for timescales of the order of seconds. The facility used here (Flow‐Xl) houses a diffractometer with a micro‐focus Cu Kα rotating anode X‐ray source and a 2D hybrid photon‐counting detector, together with a Raman spectrometer with 532 and 785 nm lasers. An overview of the diffractometer and spectrometer setup is given, and current sample environments for flow crystallization are described. Commissioning experiments highlight the sensitivity of the two instruments for time‐resolved in situ data collection of samples in flow. Finally, an example case study to monitor the batch crystallization of sodium sulfate from aqueous solution, by tracking both the solute and solution phase species as a function of time, highlights the applicability of such measurements in determining the kinetics associated with crystallization processes. This work illustrates that the Flow‐Xl facility provides high‐resolution time‐resolved in situ structural phase information through diffraction data together with molecular‐scale solution data through spectroscopy, which allows crystallization mechanisms and their associated kinetics to be analysed in a laboratory setting. [ABSTRACT FROM AUTHOR]

Large size high‐quality perovskite single‐crystals are highly desirable for investigating their fundamental materials properties and realizing state of the art electronic/optoelectronic device performance. Herein, a novel single‐crystal growth method is reported by recrystallization of perovskites in oversaturated solutions. Perovskite single crystals including both organic–inorganic hybrid metal halides and their all‐inorganic counterparts can be obtained in large amounts by this method. All of the synthesized perovskite single crystals exhibit large crystal sizes (centimeter level) and exceptional light emission properties. Meanwhile, the single‐crystal growth can be well controlled and the solvent can be reused for cycles of single‐crystal growth, which sheds light on the preparation of perovskite materials in a way of green chemistry. In addition, thermodynamic growth principles for the single‐crystal growth are proposed, providing a universal approval for metal halide single‐crystal synthesis. [ABSTRACT FROM AUTHOR]

The crystal structures of 16 boron subphthalocyanines (BsubPcs) with structurally diverse axial groups were analyzed and compared to elucidate the impact of the axial group on the intermolecular π–π interactions, axial‐group interactions, axial bond length and BsubPc bowl depth. π–π interactions between the isoindole units of adjacent BsubPc molecules most often involve concave–concave packing, whereas axial‐group interactions with adjacent BsubPc molecules tend to favour the convex side of the BsubPc bowl. Furthermore, axial groups that contain O and/or F atoms tend to have significant hydrogen‐bonding interactions, while axial groups containing arene site(s) can participate in π–π interactions with the BsubPc bowl, both of which can strongly influence the crystal packing. Bulky axial groups did tend to disrupt the π–π interactions and/or axial‐group interactions, preventing some of the close packing that is seen in BsubPcs with less bulky axial groups. The atomic radius of the heteroatom bonded to boron directly influences the axial bond length, whereas the axial group has minimal impact on the BsubPc bowl depth. Finally, the crystal growth method did not generally appear to have a significant impact on the solid‐state arrangement, with the exception of water occasionally being incorporated into crystal structures when hygroscopic solvents were used. These insights can help with the design and fine‐tuning of the solid‐state structures of BsubPcs as they continue to be developed as functional materials in organic electronics. [ABSTRACT FROM AUTHOR]

A nonlocal phase-field crystal (NPFC) model is presented as a nonlocal counterpart of the local phase-field crystal (LPFC) model and a special case of the structural PFC (XPFC) derived from classical field theory for crystal growth and phase transition. The NPFC incorporates a finite range of spatial nonlocal interactions that can account for both repulsive and attractive effects. The specific form is data-driven and determined by a fitting to the materials structure factor, which can be much more accurate than the LPFC and previously proposed fractional variant. In particular, it is able to match the experimental data of the structure factor up to the second peak, an achievement not possible with other PFC variants studied in the literature. Both LPFC and fractional PFC (FPFC) are also shown to be distinct scaling limits of the NPFC, which reflects the generality. The advantage of NPFC in retaining material properties suggests that it may be more suitable for characterizing liquid–solid transition systems. Moreover, we study numerical discretizations using Fourier spectral methods, which are shown to be convergent and asymptotically compatible, making them robust numerical discretizations across different parameter ranges. Numerical experiments are given in the two-dimensional case to demonstrate the effectiveness of the NPFC in simulating crystal structures and grain boundaries. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Room‐temperature sodium‐sulfur (RT‐Na/S) batteries display attractive potential in large‐scale energy‐storage, but their practical application was still restricted by the serious dissolution of polysulfides. Herein, supported by the constructing of interface engineering, the metal sulfide‐carbon nanocomposite can be prepared with considerable electrochemical properties. Utilizing the double‐helix structure of carrageenan‐metal hydrogels as precursors, in‐situ metal sulfide (MxSy) nanostructure/3D carbon aerogels (3D CAs) can be successfully constructed. Importantly, with the assistance of the vulcanization process, 3D carbon architecture was maintained in the composites and acted as a skeleton to optimize their structural stability. As the cathode of RT‐Na/S batteries, ZnS/S@C and NiS2/S@C delivered an excellent cycling stability and rate performance (179.8 mAh·g−1 at 20 A·g−1 after 10000 cycling for ZnS/S@C, 220.3 mAh·g−1 at 10 A·g−1 after 3000 cycling for NiS2/S@C). The detailed investigation of mechanism revealed that the powerful adsorption for Na2S4 originated from 3D metal sulfide‐carbon structure. The well‐designed architecture of sulfide‐carbon composites servers as an electrocatalyst to alleviate the shuttle effect of polysulfides, resulting in the long‐term electrochemical stability. Given this, the work is expected to provide promising insights for designing advanced cathode materials for RT‐Na/S batteries. [ABSTRACT FROM AUTHOR]

Understanding the effective diffusion coefficient (D) is crucial for describing atomic transport during crystal nucleation in supercooled liquids and glasses. However, pinpointing the key structural units driving crystallization in intricate, multicomponent glass-formers remains a challenge. This study presents a novel analysis of lithium diborate (Li₂O·2 B₂O₃ - LB₂) crystallization in supercooled and glassy states by using available viscosity and crystallization data for samples of the same batch. An original key feature is that the nucleation rates were measured using a single-stage rather than the traditional double-stage heat treatment. We compared three proxies for D : D η obtained from viscosity, D U derived from crystal growth rates, and D τ estimated from nucleation time-lags. Our analysis revealed that at deep supercoolings, below the glass transition temperature, D U and D τ yield similar steady-state nucleation rate estimates, which significantly exceed those predicted by using D η (the most frequently used diffusion proxy). This result suggests that the atomic jumps governing crystal nucleation may be comparable to those in crystal growth, but distinct from those associated with cooperative rearrangements controlling viscous flow. Additionally, the estimated kinetic spinodal temperature (T k s) is above the Kauzmann temperature T k , implying that crystal nucleation precedes relaxation to the supercooled liquid state, circumventing the entropy paradox and corroborating recent MD simulations for other substances. These findings are valuable for refining theoretical models of crystal nucleation and highlight the complexities of the glassy state. [ABSTRACT FROM AUTHOR]

The study of average convection in a rotating cavity subjected to modulated rotation is an interesting area for the development of both fundamental and applied science. This phenomenon finds application in the field of mass transfer and fluid flow control, relevant examples being crystal growth under reduced gravity and fluid mixing in microfluidic devices for cell cultures. In this study, the averaged flow generated by the oscillating motion of a fluid in a planar layer rotating about a horizontal axis is experimentally investigated. The boundaries of the layer are maintained at constant temperatures, while the lateral cylindrical wall is thermally insulated. It is demonstrated that libration results in intense oscillatory fluid motion, which in turn produces a time-averaged flow. For the first time, quantitative measures for the instantaneous velocity field are obtained using the Particle Image Velocimetry technique. It is revealed that the flow has the form of counter-rotating vortices. The vortex circulations sense changes during a libration cycle. An increase in the rotation rate and amplitude of the cavity libration results in an increase in the flow intensity. The heat transfer and time-averaged velocity are examined accordingly as a function of the dimensionless oscillation frequency, and resonant excitation of heat transfer and average oscillation velocity are revealed. The threshold curve for the onset of the averaged convection is identified in the plane of control parameters (dimensionless rotational velocity and pulsation Reynolds number). It is found that an increase in the dimensionless rotational velocity has a stabilizing effect on the onset of convection. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Room‐temperature sodium‐sulfur (RT‐Na/S) batteries display attractive potential in large‐scale energy‐storage, but their practical application was still restricted by the serious dissolution of polysulfides. Herein, supported by the constructing of interface engineering, the metal sulfide‐carbon nanocomposite can be prepared with considerable electrochemical properties. Utilizing the double‐helix structure of carrageenan‐metal hydrogels as precursors, in‐situ metal sulfide (MxSy) nanostructure/3D carbon aerogels (3D CAs) can be successfully constructed. Importantly, with the assistance of the vulcanization process, 3D carbon architecture was maintained in the composites and acted as a skeleton to optimize their structural stability. As the cathode of RT‐Na/S batteries, ZnS/S@C and NiS2/S@C delivered an excellent cycling stability and rate performance (179.8 mAh·g−1 at 20 A·g−1 after 10000 cycling for ZnS/S@C, 220.3 mAh·g−1 at 10 A·g−1 after 3000 cycling for NiS2/S@C). The detailed investigation of mechanism revealed that the powerful adsorption for Na2S4 originated from 3D metal sulfide‐carbon structure. The well‐designed architecture of sulfide‐carbon composites servers as an electrocatalyst to alleviate the shuttle effect of polysulfides, resulting in the long‐term electrochemical stability. Given this, the work is expected to provide promising insights for designing advanced cathode materials for RT‐Na/S batteries. [ABSTRACT FROM AUTHOR]

This article reports the successful synthesis of single crystalline two-dimensional thin flakes of NbSe2. The XRD (X-ray diffraction) pattern of the grown crystal ensured its crystallization in a single phase with a hexagonal structure. The EDAX (energy dispersive X-ray analysis) endorsed the stoichiometry of the as-grown sample. To study the vibrational modes, the Raman spectra were recorded, which exhibited the expected four Raman active modes. The resistance vs temperature measurement showed a well-established superconducting transition (Tc) at 7.3 K. The ZFC (zero-field cooled) and FC (field cooled) magnetization curves, as well as the isothermal M−H (magnetization vs field) measurements, have been performed for both in-plane and out-of-plane H directions. Distinct anisotropy is observed in both magnetization and magneto-transport measurements with field direction, leading to different critical fields (Hc). Out-of-plane magneto-transport data hints towards the existence of a filamentary state. The density functional theory (DFT) has been used to study the band structure of NbSe2. Although the bulk band structure confirmed metallic behavior, the same of mono-layers of NbSe2 within the GGA+U framework showed a band gap of 1.17 eV. The article addresses the anisotropy in the electronic and magneto-transport of 2D superconductor NbSe2. [ABSTRACT FROM AUTHOR]

The effects of soluble ions on the morphology and crystal growth of calcium sulfate hemihydrate whiskers are very significant. In order to gain a deeper understanding of the basic theory of regulating whiskers, this paper summarises the progress of research on the effects of different types and concentrations of soluble cations in desulfurization gypsum on the whisker preparation. The low concentration of Na+ has a small effect on the calcium sulfate hemihydrate whiskers and barely affects the morphology and surface smoothness of the whiskers. The content of K+ is suitable to be 3% (mass fraction) or below, and the higher content has a detrimental effect on the growth of calcium sulfate hemihydrate whiskers. Mg2+ makes the whisker surface more homogeneous and crystalline. And the trace amount of selective adsorption of Al3+ has no effect on the whisker length-to-diameter ratio. Similar to K+, Fe3+ also has the optimal concentration, which is lower than 2 mmol / L. Unlike the cations mentioned above, Cu2+ is not from the raw material, but is an additional ion introduced in the doping of the appropriate amount of Cu2+ is conducive to the formation of whiskers with a smooth and uniform surface. [ABSTRACT FROM AUTHOR]

Bridgman grown CsPbBr3 single crystals have demonstrated γ-ray spectra with a high resolution, making them a highly promising competitor for the current benchmark room-temperature radiation detector Cd1−xZnxTe. However, CsPbBr3 crystal growth is a very slow process that oftentimes results in cracked ingots due to phase transitions from cubic to orthorhombic crystal systems. In this report, we demonstrate the stabilization of a room-temperature cubic phase in Cs(Pb1−xSnx)(Br3−yCly) solid solutions to overcome this issue. Cs(Pb0.75Sn0.25)(Br1.00Cl2.00) was identified as the most promising composition and grown as a crack-free ingot using Bridgman growth in around one week. [ABSTRACT FROM AUTHOR]

Nucleation and growth during the crystallization process are crucial steps that determine the crystal structure, size, morphology, and purity. A thorough understanding of these mechanisms is essential for producing crystalline products with consistent properties. This study investigates the solubility of tacrolimus (FK506) in an ethanol–water system (1:1, v/v) and examines its crystallization kinetics using batch crystallization experiments. Initially, the solubility of FK506 was measured, and classical nucleation theory was employed to analyze the induction period to determine interfacial free energy ( γ ) and other nucleation parameters, including the critical nucleus radius ( r * ), critical free energy ( ∆ G * ), and the molecular count of the critical nucleus ( i * ). Crystallization kinetics under seeded conditions were also measured, and the parameters of the kinetic model were analyzed to understand the effects of process states such as temperature on the crystallization process. The results suggested that increasing temperature and supersaturation promotes nucleation. The surface entropy factor ( f ) indicates that the tacrolimus crystal growth mechanism is a two-dimensional nucleation growth. The growth process follows the particle size-independent growth law proposed by McCabe. The estimated kinetic parameters reveal the effects of supersaturation, temperature, and suspension density on the nucleation and growth rates. [ABSTRACT FROM AUTHOR]

Laser cladding is an emerging environmentally friendly surface-strengthening technology. During the cladding process, the changes in molten pool temperature and velocity directly affect the solidification process and element distribution. The quantitative revelation of the directional solidification mechanism in the molten pool during the cladding process is crucial for enhancing the quality of the cladding layer. In this study, a multi-field coupling numerical model was developed to simulate the coating process of 316L powder on 45 steel matrices using a disk laser. The instantaneous evolution law of the temperature and flow fields was derived, providing input conditions for simulating microstructure evolution in the molten pool's paste zone. The behavior characteristics of the molten pool were predicted through numerical simulation, and the microstructure evolution was simulated using the phase field method. The phase field model reveals that dendrite formation in the molten pool follows a sequence of plane crystal growth, cell crystal growth, and columnar crystal growth. The dendrites can undergo splitting to form algal structures under conditions of higher cooling rates and lower temperature gradients. The scanning speed of laser cladding (6 mm/s) has minimal impact on dendrite growth; instead, convection within the molten pool primarily influences dendrite growth and tilt and solute distribution. [ABSTRACT FROM AUTHOR]

Organophosphates nucleating agents are widely used in the plastics industry. Nucleating agents with different morphologies have various effects on the resin materials. The micro‐jetting technique is shown to be a promising tool for the controlled preparation of micro‐and nano‐sized particles. Therefore, in this paper, controllable preparation of sodium 2,2'‐methylene‐bis‐(4,6‐di‐tert‐butylphenyl) phosphate (NA11) is achieved by the micro‐jetting technique. The study focused on the impact of various parameters on its shape and size. Hexagonal, rhombic, rod‐shaped, and needle‐shaped micro‐sized NA11 crystals are prepared. The results show that the decrease in the polarity of the organic solvents added in the antisolvent water led to the transformation of NA11 from bulk hexagon to plate‐like rhombus and finally to needle‐shaped crystals. The addition of surfactants can regulate the crystal growth rates and orientations, thereby facilitating the formation of rod‐shaped crystals. Based on rod‐shaped crystals, the crystal size is studied. Crystals with average particle sizes in the range of 40–100 µm can be obtained with coefficients of variation as low as 4% by varying the relevant experimental parameters such as the supersaturation, the solution homogeneity in the crystal growth environment, and the mixing intensity. This study provides references for designing functional materials. [ABSTRACT FROM AUTHOR]

δ-MnO2 is an important component of environmental minerals and is among the strongest sorbents and oxidants. The crystalline morphology of δ-MnO2 is one of the key factors affecting its reactivity. In this work, δ-MnO2 was initially synthesized and placed in an acidic environment to react with Mn2+ and undergo a crystalline transformation. During the transformation of crystalline δ-MnO2, kinetic sampling was conducted, followed by analyses of the structures and morphologies of the samples. The results showed that at pH 2.5 and 4, δ-MnO2 nanoflakes spontaneously self-assembled into nanoribbons via edge-to-edge assembly in the initial stage. Subsequently, these nanoribbons attached to each other to form primary nanorods through a face-to-face assembly along the c-axis. These primary nanorods then assembled along the (001) planes and lateral surfaces, achieving further growth and thickening. Since a lower pH is more favorable for the formation of vacancies in δ-MnO2, δ-MnO2 can rapidly adsorb Mn2+ directly onto the vacancies to form tunnel walls. At the same time, the rapid formation of the tunnel walls leads to a quick establishment of hydrogen bonding between adjacent nanoribbons, enabling the assembly of these nanoribbons into primary nanorods. Therefore, in a solution with the same concentration of Mn2+, the structure transformation and morphology evolution of δ-MnO2 to α-MnO2 occur faster at pH 2.5 than at pH 4. These findings provide insights into the mechanism for crystal growth from layer-based to tunnel-based nanorods and methods for efficient and controlled syntheses of nanomaterials. [ABSTRACT FROM AUTHOR]

Inverted perovskite solar cells (PSCs) comprising formamidinium‐cesium (FA‐Cs) lead triiodide have garnered considerable attention due to their impressive efficiency and remarkable stability. Nevertheless, synthesizing high‐quality FA‐Cs alloyed perovskite films presents challenges, primarily attributable to the intricate interphase process involved and the absence of methylammonium (MA+) and mixed halogens. Here, the additive 3‐phosphonopropanoic acid (3‐PPA) is introduced, with bifunctional phosphonic acid groups, into the perovskite precursor to modulate the crystal growth and provide passivation at grain boundaries. In situ characterization reveals that the 3‐PPA can form a "rapid nucleation, slow growth" mechanism, resulting in perovskite films with enlarged grains and enhanced crystallinity. In addition, 3‐PPA serves to passivate grain boundary defects and release residual strain by forming molecular bridging, leading to the passivated films achieving a fluorescence lifetime of 5.79 microseconds with a favorable n‐type contact interface. As a result, the resulting devices incorporating 3‐PPA achieve a champion power conversion efficiency (PCE) of 24.05% and an ultra‐high fill factor (FF) of 84.22%. More importantly, the optimized devices exhibit satisfactory stability under various testing conditions. The findings underscore the pivotal role of multifunctional additives in crystallization control and defect passivation for high‐performance MA‐free and pure iodine PSCs. [ABSTRACT FROM AUTHOR]

Through the experiments of indium phosphide (InP) crystal growth, it was found that InP crystals with twin-free or low twinning probability can be grown repeatedly in the range of 0-90° growth angles at a high temperature gradient and low growth rate. Based on the experimental phenomena, it is inferred that twin formation is mainly related to undercooling at the growth interface. A kinetic model for twin nucleation based on the morphologies of the triple junction (tri-junction) region has been proposed from the point of view of the nucleation kinetics of crystal growth. It is found that when the undercooling of facets exceeds a critical value, the probability of twin nucleation increases with the increase of undercooling. When the twin boundary energy is 0.5 mJ m-2, this critical value approaches 0.2 K. Based on this model, the comprehensive influence of interface morphologies, temperature gradients, and growth rates on twin nucleation was analyzed. In addition, the effects of temperature fluctuations, constitutional supercooling, impurities and dopants have also been well explained. By controlling the morphologies of the growth interface under low undercooling, InP single crystals with a diameter of 170 mm were prepared using a flat shoulder method. [ABSTRACT FROM AUTHOR]

All-inorganic CsPbBr3 perovskites possess exceptional optoelectronic properties, with emerging applications in light-emitting diodes (LEDs), solar cells, photodetectors, etc. Particularly, high-resolution patterning of halide perovskites is highly demanded for flexible and wearable optical devices, owing to the advantages of high integration and compatibility. Nevertheless, improving the stability of CsPbBr3 perovskites remains a big challenge, impeding the practical applications. To address this issue, a series of CsPbBr3 perovskite solutions were inkjet-printed into the viscous polyvinylpyrrolidone (PVP) substrate to induce the in situ crystallization of CsPbBr3 within the soft and transparent matrix. The underlying relationship between the luminescence and the crystalline morphologies is discussed in details. With controlled crystal growth, fine and well-defined rectangular CsPbBr3 nanocrystals are favorable for the highly luminescent patterns, demonstrating strong green emission under excitation at 365 nm and 480 nm. The gravity sedimentation effect is evidenced as the main cause of the encapsulation of CsPbBr3 nanocrystals within the PVP matrix. Along with the space confinement effect of the PVP layer, these flexible and transparent CsPbBr33 nanocrystal patterns display excellent ambient stability, retaining over 80% of the fluorescence intensity even after 210 days of storage under ambient conditions. This work not only provides a deeper understanding of the crystallization mechanism of CsPbBr3 within the soft polymer matrix, but also offers a novel approach for preparing wearable and flexible optical devices for LEDs and anticounterfeiting labels. [ABSTRACT FROM AUTHOR]

The emergence of a crystal nucleus from disordered states is a critical and challenging aspect of the crystallization process, primarily due to the extremely short length and timescales involved. Methods such as liquid-cell or low-dose focal-series transmission electron microscopy (TEM) are often employed to probe these events. In this study, we demonstrate that ion mobility spectrometry-mass spectrometry (IMS-MS) offers a complementary and insightful perspective on the nucleation process by examining the sizes and shapes of small clusters, specifically those ranging from n = 2 to 40. Our findings reveal the significant role of sulfate ions in the growth of adeninediium sulfate clusters, which are the precursors to the formation of single crystals. Specifically, sulfate ions stabilize adenine clusters at the 1:1 ratio. In contrast, guanine sulfate forms smaller clusters with varied ratios, which become stable as they approach the 1:2 ratio. The nucleation size is predicted to be between n = 8 and 14, correlating well with the unit cell dimensions of adenine crystals. This correlation suggests that IMS-MS can identify critical nucleation sizes and provide valuable structural information consistent with established crystallographic data. We also discuss the strengths and limitations of IMS-MS in this context. IMS-MS offers rapid and robust experimental protocols, making it a valuable tool for studying the effects of various additives on the assembly of small molecules. Additionally, it aids in elucidating nucleation processes and the growth of different crystal polymorphs. [ABSTRACT FROM AUTHOR]

Perovskite solar cells (PSCs) are exuding unique charm in the third generation of thin film solar cell technology with high power conversion efficiency (PCE) and low production cost. Recently, the lead‐free tin halide perovskite solar cells (TPSCs) have drawn significant research interests due to the advantages of low toxicity, near‐ideal bandgap and high carrier mobility. However, the rapid crystallization and easy oxidation limits the film quality and final performance of the solar cells. Therefore, the deposition of high‐quality tin halide perovskite films is key to the advance of TPSCs. In this review, the classical theory of solution nucleation and crystal growth is reviewed and correlated to the practical deposition of tin perovskite film. The physicochemical properties of tin perovskite with those of lead counterpart and the differences in the crystallization process is carefully compared. On this basis, recent regulation strategies are systematically summarized in terms of the nucleation management, intermediate phase engineering and crystal growth regulation. In addition, the preparation of mixed tin‐lead (Sn‐Pb) PSCs toward high performance is also discussed, as well as the limiting factors for device performance and stability. Finally, the future challenges and prospects of the crystallization regulation are discussed toward more efficient and stable TPSCs. [ABSTRACT FROM AUTHOR]

Tin oxide (SnO2) based on chemical bath deposition method (CBD‐SnO2) is considered as an ideal electron transporting layer for perovskite solar cells (PSCs), however, the research on precise regulation toward CBD‐SnO2 layer is lacking. Here, the study introduces a multifunctional molecule, potassium 2‐(N‐morpholino)ethanesulfonate (MES‐K), on the surface of CBD‐SnO2 layer to synergistically modify the buried interface between the SnO2 and perovskite. It is found that MES‐K introduction can passivate interfacial defects, favor the perovskite crystal growth, and improve carrier transportation. 25.14% efficiency of small‐size perovskite solar cells has been achieved with 24.45% efficiency of 1 cm2 perovskite devices, with negligible hysteresis. Besides, unencapsulated devices based on CBD‐SnO2 can maintain > 95% of its initial efficiency after 2000 h storage at ambient environment, and > 90% after 1000 h LED illumination. [ABSTRACT FROM AUTHOR]

Disentangling nucleation and growth in materials that crystallize on the nanosecond time scale is experimentally quite challenging since the relevant processes also take place on very small, i.e., sub‐micrometer length scales. Phase change materials are bad glass formers, which often crystallize rapidly. Here systematic changes in crystallization kinetics are shown in pseudo‐binary compounds of GeTe and Sb2Te3 and related solids subjected to short laser pulses. Upon systematic changes in stoichiometry, the speed of crystallization changes by three orders of magnitude concomitantly with pronounced changes in stochasticity. Resolving individual grains with electron backscatter diffraction (EBSD) permits to disentangle of the process of nucleation and growth. From these experiments, supported by multiphysics simulations of crystallization, it can be concluded that high crystallization speeds with small stochasticity characterize phase change materials with fast nucleation, while compounds that nucleate slowly crystallize much more stochastically. [ABSTRACT FROM AUTHOR]

Lately, carbazole‐based self‐assembled monolayers (SAMs) are widely employed as effective hole‐selective layers (HSLs) in inverted perovskite solar cells (PSCs). Nevertheless, these SAMs tend to aggregate in solvents due to their amphiphilic nature, hindering the formation of a monolayer on the ITO substrate and impeding effective passivation of deep defects in the perovskites. In this study, a series of new SAMs including DPA‐B‐PY, CBZ‐B‐PY, POZ‐B‐PY, POZ‐PY, POZ‐T‐PY, and POZ‐BT‐PY are synthesized, which are employed as interfacial repairers and coated atop CNph SAM to form a robust CNph SAM@pseudo‐planar monolayer as HSL in efficient inverted PSCs. The CNph SAM@pseudo‐planar monolayer strategy enables a well‐aligned interface with perovskites, synergistically promoting perovskite crystal growth, improving charge extraction/transport, and minimizing nonradiative interfacial recombination loss. As a result, the POZ‐BT‐PY‐modified PSC realizes an impressively enhanced solar efficiency of up to 24.45% together with a fill factor of 82.63%. Furthermore, a wide bandgap PSC achieving over 19% efficiency. Upon treatment with the CNph SAM@pseudo‐planar monolayer, also demonstrates a non‐fullerene organic photovoltaics (OPVs) based on the PM6:BTP‐eC9 blend, which achieves an efficiency of 17.07%. Importantly, these modified PSCs and OPVs all show remarkably improved stability under various testing conditions compared to their control counterparts. [ABSTRACT FROM AUTHOR]

We represent a segmented flow surfactant‐free microfluidic strategy for continuous synthesis of Prussian blue analogues (PBAs) with high dispersity and high crystallization. Representative zinc hexacyanoferrate (ZnHCF) nanocubes were successfully synthesized in a microfluidic reactor within a few minutes via the cooperation method and possessed lower contents of crystal water and Fe(CN)63− vacancies than that of synthesis in bulk solution. The nucleation and particle growth process can be precisely controlled by the exploration of different flow rates and reaction temperatures during the formation of ZnHCF nanocubes in segmented flow microfluidic reactors. High crystallinity, low crystal water and vacancies in the ZnHCF structure were presented at relatively high temperatures for the crystal growth process. High‐quality ZnHCF with a low content of crystal water showed excellent electrochemical activity and stability towards zinc‐ion storage. The continuous and scalable synthesis approach can be extended to the fabrication of other PBAs such as NiHCF, CoHCF, MnHCF, and CuHCF with high dispersity without using any surfactants. The controllable construction of PBAs with tunable properties in microfluidic reactors provides a promising direction to minimize the gap between commercial reality and laboratory research. [ABSTRACT FROM AUTHOR]

Flexible perovskite solar cells (f‐PSCs) have drawn widespread interest owing to their distinguished advantages in excellent flexibility and relatively low cost. However, the brittle grain boundaries (GBs) and defects in flexible perovskite film tremendously influence the power conversion efficiency (PCE) and mechanical flexibility of f‐PSCs. Herein, photothermal welding, a novel method, is used to improve the perovskite films quality and the PCE of f‐PSCs with a near‐infrared (NIR) dye (indocyanine green, ICG) and polycaprolactone (PCL) as additives. Due to the strong photothermal effect, ICG molecule not only can significantly enhance NIR light harvesting, but it also can weld GBs upon exposure to an NIR laser, which is conducive to the GBs connections and device flexibility. Meanwhile, the S═O bond of ICG and C═O bond of PCL can simultaneously coordinate with Pb2+ defects in perovskite. Furthermore, they can control crystal growth to form a smooth surface of perovskite film. Consequently, the unencapsulated PSCs based on ICG/PCL displays a high champion PCE of 20.62%, with 88.4% of the original PCE after being placed in dark conditions for 600 h. The f‐PSCs delivers a champion PCE of 19.55% and exhibits excellent mechanical stability, thus providing a meaningful scientific direction to fabricate high‐flexible f‐PSCs. [ABSTRACT FROM AUTHOR]

Manipulating the grain boundary and chiral structure of enantiomorphic inorganic thermoelectric materials facilitates a new degree of freedom for enhancing thermoelectric energy conversion. Chiral twist mechanisms evolve by the screw dislocation phenomenon in the nanostructures; however, contributions of such chiral transport have been neglected for bulk crystals. Tellurium (Te) has a chiral trigonal crystal structure, high band degeneracy, and lattice anharmonicity for high thermoelectric performance. Here, Sb‐doped Te crystals are grown to minimize the severe grain boundary effects on carrier transport and investigate the interface of chiral Te matrix and embedded achiral Sb2Te3 precipitates, which induce unusual lattice twists. The low grain boundary scattering and conformational grain restructuring provide electrical‐favorable semicoherent interfaces. This maintains high electrical conductivity leading to a twofold increase in power factor compared to polycrystal samples. The embedded Sb2Te3 precipitates concurrently enable moderate phonon scattering leading to a remarkable decrease in lattice thermal conductivity and a high dimensionless figure of merit (zT) of 1.1 at 623 K. The crystal growth and chiral atomic reorientation unravel the emerging benefits of interface engineering as a crucial contributor to effectively enhancing carrier transport and minimizing phonon propagation in thermoelectric materials. [ABSTRACT FROM AUTHOR]

The crystal 1H-imidazole-1-methanol (HIM) was thoroughly investigated using density functional theory (DFT) to optimize its vibrational, natural bonding orbital (NBO), geometrical, Hirshfeld surface analysis properties, as well as electronic, linear, and nonlinear optical properties. Geometrical parameters and vibrational frequencies were obtained from the B3LYP/6–311++G(d,p) level of theory, and the obtained values for the geometrical parameters were found to be in good agreement with experimental values. The potential energy distribution (PED) for the vibrational FT-IR frequencies was compared to experimental results. Additionally, a time-dependent DFT approach was used to determine the excitation energies, oscillator strengths, and UV–Vis spectra of water, dimethyl sulfoxide (DMSO), and gas. The NBO analysis of the compound involved analyzing atom hybridization and electronic structure. Reactivity of the molecule was studied using the Molecular Electrostatic Potential (MEP), Fukui function, and Local Reactivity Descriptors. Furthermore, calculations were performed to determine the molecular nonlinear optical (NLO) characteristics, including static dipole moment, polarizability, and first-order hyperpolarizability. The compound's multiwave functions, such as the localized orbital locator (LOL) and electron localization function (ELF), were also determined. Finally, Hirshfeld surface analysis was conducted to investigate the interactions within and between molecules of the title compound. [ABSTRACT FROM AUTHOR]

In this study, we assessed the quantity, strength, and acidity of zeolite composites comprising Silicalite-1 grown on ZSM-5 crystals using a combination of infrared (IR) and solid-state nuclear magnetic resonance (NMR) spectroscopy. The composites were created through the direct growth of Silicalite-1 crystals on ZSM-5 (P_ZSM-5), either with or without the organic structure-directing agent (OSDA) introduced into the ZSM-5 channels (samples: H_ZSM-5_Sil1 and TPA_ZSM-5_Sil1). The results revealed that Silicalite-1 grew differently when the ZSM-5 core was in the H+ form (empty pores) compared to when the OSDA was still present in the sample. This distinction was evident in the textural properties, with a decrease in the micropore surface area and an increase in the external surface area in the H_ZSM-5_Sil1 compared to the parent sample. The TPA_ZSM-5_Sil1 composite exhibited characteristics similar to the parent zeolite. These findings were further supported by 29Si NMR, which revealed a comparable local order for the parent (P_ZSM-5) and TPA_ZSM-5_Sil1 samples, along with a broadening of the Q4 peak for the H_ZSM-5_Sil1 composite. Additionally, the acid sites were preserved in the TPA_ZSM-5_Sil1 composite, while in the H+-form core, the concentration of Brønsted acid sites significantly decreased. This reduction in isolated Brønsted acid sites was further corroborated by 1H NMR. [ABSTRACT FROM AUTHOR]

The development of microcrystalline glass‐ceramics with high transparency and deep trap energy levels is crucial for the cost‐effective and large‐scale production of scintillators and optical data storage applications. In this study, the incorporation of highly electronegative divalent tin (Sn2+) plays a key role in modulating the network structure of borate glass. This leads to the successful synthesis of SrAl2O4:Eu2+ microcrystalline glass with high transparency, reaching up to 80%, and excellent crystallinity. Additionally, a series of non‐optically active ions with different valence states is co‐doped with Eu2+ to fine‐tune the trap levels of the SrAl2O4 microcrystals. All samples maintain high crystallinity and exhibit good transparency. In particular, the Pb2+ ion co‐doped samples achieve an increased trap energy level of 1.28 eV, significantly enhancing their capacity to capture X‐rays and ultraviolet light. Density functional theory calculations reveal that this enhancement is due to severe lattice distortion caused by Pb2+ ions occupying interstitial sites in SrAl2O4. Utilizing the SrAl2O4:Eu2+, Pb2+ glass‐ceramics materials, X‐ray imaging with a delay of up to 210 s and optical information storage for >60 d is achieved. This study provides valuable insights into the crystal growth and trap modulation of persistent luminescent materials within a three‐dimensional glass network structure. [ABSTRACT FROM AUTHOR]

Vapor‐deposited inverted perovskite solar cells utilizing self‐assembled monolayer (SAM) as hole transport material have gained significant attention for their high efficiencies and compatibility with silicon/perovskite monolithic tandem devices. However, as a small molecule, the SAM layer suffers low thermal tolerance in comparison with other metal oxide or polymers, rendering poor efficiency in solar device with high‐temperature (> 160 °C) fabricating procedures. In this study, a dual modification approach involving AlOx and F‐doped phenyltrimethylammonium bromide (F‐PTABr) layers is introduced to enhance the buried interface. The AlOx dielectric layer improves the interface contact and prevents the upward diffusion of SAM molecules during the vapor–solid reaction at 170 °C, while the F‐PTABr layer regulates crystal growth and reduces the interfacial defects. As a result, the AlOx/F‐PTABr‐treated perovskite film exhibits a homogeneous, pinhole‐free morphology with improved crystal quality compared to the control films. This leads to a champion power conversion efficiency of 21.53% for the inverted perovskite solar cells. Moreover, the encapsulated devices maintained 90% of the initial efficiency after 600 h of ageing at 85 °C in air, demonstrating promising potential for silicon/perovskite tandem application. [ABSTRACT FROM AUTHOR]

• Microscale crystallization phenomena of waste slag is explored visually. • Effect of homogeneous nucleation on thermal treatment of waste slag is substantial. • Crystal growth mode is various as the isothermal temperature increased. • Correlations are obtained to predict the microscale crystallization phenomena. Metal smelting and combustion of solid fuels produce significant quantities of waste slag, leading to issues such as land occupation and environmental pollution. Understanding and controlling the microscale crystallization phenomena of these slags during thermal treatment is crucial for transforming waste slags into materials suitable for carbon capture or glass ceramics. Previous research has primarily focused on macroscopic crystallization behaviors, significantly advancing the utilization of waste slags in cement clinker production. However, macroscopic results are inadequate for precisely controlling the microscale crystallization behaviors of waste slags. Here, we employed the single hot thermocouple technique to visually explore crystal growth modes, shapes, sizes, numbers, and translational rates of the crystal growth front in a representative blast furnace slag under various isothermal temperatures. The results revealed that crystals exhibited five modes as the isothermal temperature gradually increased, including equiaxed, equiaxed & columnar, columnar, columnar & planar, and planar. Moreover, the translational rate of the crystal growth front increased from 0.011 μm·s−1 to 43.7 μm·s−1 with an increase in the isothermal temperature. Simultaneously, the number of crystals decreased from around 104 to 100 μm−2. On this basis, correlations between microscale crystallization behaviors and isothermal temperature were established to fill the current gap. [ABSTRACT FROM AUTHOR]

All-solid-state sodium batteries, renowned for their leak-proof nature and enhanced safety profile, have become a pivotal focus of research. Their viability hinges on the development of robust solid electrolyte materials. Among these, Na 3 Zr 2 Si 2 PO 12 (NZSP) stands out as a particularly promising candidate. However, the practical utility of NZSP has been limited by its relatively modest room temperature conductivity. This paper introduces a novel modification strategy aimed at significantly enhancing room temperature conductivity of NZSP. In the series of experiments, NSZP was synthesized by traditional sintering process with Zn2+ doping and NaF additives. Through the substitution of Zr4+ ions with Zn2+ ions, this innovative approach not only raises the sodium ion concentration but also expands the bottleneck regions within the Na ion transport pathways. This augmentation ultimately translates into heightened grain conductivity. Additionally, the incorporation of NaF during the sintering process induces crystal growth in NZSP, thereby reducing grain boundary concentration and further amplifying grain conductivity's contribution to the overall ionic conductivity. Employing conventional sintering techniques, we successfully synthesized Na 3.3 Zr 1.95 Zn 0.05 Si 2.2 P 0.8 O 12 -0.25NaF (−0.25 NaF indicates that 0.25 mol NaF was added during sintering) electrolyte samples, which demonstrated an impressive high room temperature conductivity of 2.2 × 10−3 S cm−1. This value surpasses the ionic conductivity of undoped NZSP electrolytes by approximately an order of magnitude. Moreover, the Na 3.3 Zr 1.95 Zn 0.05 Si 2.2 P 0.8 O 12 -0.25NaF electrolyte exhibits a remarkable electrochemical window extending up to 4.9 V, accompanied by exceptional cycling stability. These properties render it an ideal candidate for a diverse array of cathode materials. [ABSTRACT FROM AUTHOR]

The zero-dimensional copper halide perovskite Cs 3 Cu 2 I 5 displays extraordinary luminescence and scintillation characteristics, and high-quality crystals are extremely desirable for exploring the commercial applications. Currently, the most critical issue in the solution growth of Cs 3 Cu 2 I 5 crystals is the easy oxidation of halides, which significantly hinders the optimization of crystal qualities. The hypophosphorous acid (H 3 PO 2) has been applied to inhibit the oxidation, nevertheless, the related mechanism is elusive and has been largely ignored. Herein, Cs 3 Cu 2 I 5 crystals have been grown from N, N-Dimethylformamide (DMF) solvent by the antisolvent vapor-assisted crystallization (AVC) method. It is verified that H 3 PO 2 effectively prevents the oxidation of Cs 3 Cu 2 I 5 by rapidly reducing Cu2+ and I 3 −, maintaining the stability of the precursor solution and continuously suppressing oxidation during the whole growth process. Meanwhile, by increasing the acidity of the solution, H 3 PO 2 dissolve precursor colloids and efficiently enhance the solubility of halides. Thus, the addition of H 3 PO 2 favors the rapid growth of centimeter-sized Cs 3 Cu 2 I 5 crystals with well-defined crystallographic planes within several days. As excellent gamma ray scintillator, the crystal exhibits high light yield of 38000 photons/MeV, with energy resolution of 5.6 % under 662 keV radiation from a 137Cs source. This work deeply elucidates new insight into the critical effect of H 3 PO 2 in the DMF based solution crystal growth, facilitating the preparation of large-size and high-performance copper halide perovskite crystals. [ABSTRACT FROM AUTHOR]

The internal modification with rare earth ion doping proved to be a very effective strategy for improving the luminescent properties of NaYF 4 -based upconversion materials. However, greatly enhancing the luminescence efficiency of NaYF 4 :Yb3+/Er3+ remains a major challenge. Herein, the effects of Sn4+ doping on the structure and luminescent performance of such material were explored. The hydrothermal molten-salt method was applied to synthesize the Sn4+-doped NaYF 4 :Yb3+/Er3+ upconversion materials, and their crystal structures, morphologies, surface chemical composition and element states, and luminescence performance were characterized. It was found that Sn4+ doping can significantly enhance the luminescence intensity and tailor the chromaticity of NaYF 4 :Yb3+/Er3+. In particular, the green (G) and red (R) luminescence intensity levels of the 30 mol% Sn4+ doped material were increased by factors of 26.97 and 38.91, respectively. The R/G ratio was incremented from 0.34 for the undoped material to 0.83 for the 40 mol% Sn4+ doped counterpart. The Sn4+ doping led to the change of lattice distortion and crystal growth pattern of NaYF 4 :Yb3+/Er3+. The mechanism for Sn4+ doping to affect the luminescence properties of the prepared upconversion material was also explored. The changes in luminescence intensity levels and R/G ratios could be attributed to the highly asymmetric distorted lattice and crystal field resulting from Sn4+ doping. [ABSTRACT FROM AUTHOR]

In recent years, the shift towards single-crystalline Ni-rich LiNi x Co y Mn 1-x-y O 2 (NCM) cathode materials has intensified the focus on temperature regulation via the solid-state method, aiming to enhance electrochemical capacity and control crystal size. This study investigates how variations in crystal size, indicative of distinct lattice structures, affect lithium ion transport during the electrochemical charging/discharging cycle. Our findings reveal mechanical degradation in NCM samples correlating with increased sintering temperatures of LiOH·H 2 O and NCMOH precursors, as evidenced by nanoindentation tests measuring elastic modulus and hardness. Elevated sintering temperatures were observed to facilitate nucleation and crystal growth, albeit introducing oxygen vacancies potentially detrimental to the initial Coulombic Efficiency within the NCM lattice. This degradation in both mechanical and electrochemical properties underscores the critical impact of sintering temperature on structural integrity. Our systematic analysis provides essential insights into the interplay between structural characteristics and electrochemical performance, offering compelling evidence for the optimization of sintering temperatures in the preparation of NCM cathode materials. [ABSTRACT FROM AUTHOR]

2 μm pulsed lasers not only have critical applications in military, medical, and processing fields but are also an important frontier in laser physics. The development of these pulsed lasers has been hindered by the lack of laser crystals with both high thermal conductivity and broad spectral properties. In this work, Tm, Ho:CaGdAlO4 disordered crystal with ultra-broad emission spectra around 2 μm was achieved successfully by modulating the emission intensities of Tm3+ and Ho3+ ions to the same level. The FWHM of the absorption spectra at 793 nm for the <001> and <100> directions are 18.69 and 19.44 nm, respectively, which is beneficial for commercial laser diode pumping. More importantly, the FWHM of the emission spectrum is 264 nm, which is the widest one reported in the previous literature. The results indicate that the Tm, Ho:CaGdAlO4 crystal with its broader spectra has the potential to generate an ultrashort pulse laser. [ABSTRACT FROM AUTHOR]

Organic semiconductors still lag behind their inorganic counterparts in terms of mobility due to their lower structural order, in particular in thin films. Here, the highly ordered phase of triclinic rubrene – characterized by high vertical hole mobility – grown from a vacuum‐deposited thin film is used by post‐annealing and implemented into organic photodetectors. Since the triclinic rubrene exhibits a high roughness with a peak‐to‐valley value of 250 nm, which is detrimental to the dark current, strategies to control the crystal growth are developed. These investigations show that a suppression layer of 20 nm C60 is the most promising approach to successfully reduce the surface roughness while maintaining the triclinic phase, proven by grazing‐incidence wide‐angle X‐ray scattering (GIWAXS). With the smoothened active layer, the dark current density is reduced by three orders of magnitude compared to the neat rubrene layer. It is as low as 2.5 × 10−10 A cm−2 at −0.1 V bias, reflected in an overall specific detectivity of 6 × 1011 Jones at zero bias (based on noise measurements) and a high linear dynamic range of 170 dB. This strategy using a suppression layer thus proves successful and is very promising to be applied to other crystalline materials. [ABSTRACT FROM AUTHOR]

Polar materials play a crucial role in numerous essential fields; however, efficiently synthesizing them remains a significant challenge. In this study, a viable approach is proposed to enhance the probability of discovering polar materials by developing new functional basic units (FBUs) with strong polarity and high configurational entropy. To validate this approach, a site‐modification strategy is applied to the high configurational entropy flexible (C3H2O4)2− FBU, resulting in the development of four new polar‐enhancing FBUs: (C3(CH3)2O4)2−, (C3F2O4)2−, (C3H(OH)O4)2−, and (C3HFO4)2−. Moreover, 11 new compounds through temperature‐driven conformational changes in FBUs are successfully synthesized. Among these, the proportion of polar structures reaches an impressive 54%. Remarkably, all of these novel polar compounds exhibit outstanding nonlinear optical (NLO) properties. The [Li2C3(CH3)2O4]2·3H2O demonstrates the rare coexistence of a moderate birefringence (0.071@514 nm), short UV cutoff edge (210 nm), and the strongest second harmonic generation (SHG) effect (6.5 × KDP) among ionic‐organic fourth harmonic generation crystals. Preliminary laser experiments have also proven its potential practical value as a fourth harmonic generation crystal. This research not only discovers a variety of exceptional UV NLO crystals but also provides a feasible method to increase the likelihood of finding polar materials. [ABSTRACT FROM AUTHOR]

The emerging 2D layered perovskites have promising optoelectronic properties, good intrinsic stability and reduced ion migration, making them effective for detecting X‐ray radiation. However, their application is constrained by poor out‐of‐plane carrier transport. In this study, inch‐sized high‐quality CsPb2Br5 layered single crystals (SCs) are developed using an organic ligand‐assisted solution process. By modifying the surface energy, the anisotropy of crystal growth is conquered, resulting in CsPb2Br5 SCs with sufficient thickness for X‐ray detection. Importantly, this modification significantly enhanced the crystal quality as the grown CsPb2Br5 SCs exhibited longer photoluminescence lifetime and smaller trap density. Notably, the CsPb2Br5 SCs demonstrate unprecedented out‐of‐plane carrier transport, achieving a high carrier mobility‐lifetime product of 2.53 × 10−2 cm2V−1. This can be attributed to the small interlayer distance and the strong interlayer force of Cs─Br bonding. Furthermore, CsPb2Br5 SCs possess other intriguing attributes for X‐ray detection, including high bulk resistivity and outstanding thermal stability. These advantageous properties enable high‐performance vertical‐structure X‐ray detection with a superior sensitivity of up to 8865.6 µC Gyair−1cm−2 and a low detectable dose rate of 12.7 nGyairs−1. Additionally, CsPb2Br5 SCs exhibit high spatial resolution in X‐ray imaging and exceptional thermal stability, making them promising candidates for nondestructive determination. [ABSTRACT FROM AUTHOR]

High‐quality perovskite (PVK) films is essential for the fabrication of efficient and stable perovskite solar cells (PSCs). However, unstable colloidal particles in PVK suspensions often hinder the formation of crystalline films with low defect densities. Herein, ethylenediaminetetraacetic acid (EDTA) as a colloidal stabilizer into lead iodide (PbI2) is introduced colloidal solutions. EDTA forms chelated complexes with Pb2+, enhancing the electrostatic repulsion and steric hindrance between colloidal particles. This stabilizes the particles and inhibits disordered motion (Brownian motion) and excessive aggregation. As a result, PbI2 films with a uniform hole distribution are formed, providing ample pathways for subsequent PVK film growth and sufficient space. During the film formation process, the replacement of molecules by formamidinium iodide (FAI) and EDTA slows down crystallization, ultimately leading to PVK films with large grain sizes and low defect density. By using this approach, champion power conversion efficiencies (PCEs) of 24.05% for FA0.97Cs0.03PbI3 PSC, 11.08% for CsPbBr3 PSC, and 25.19% for FA0.945MA0.025Cs0.03Pb(I0.975Br0.025)3 PSC are achieved. Moreover, the EDTA‐based FA0.97Cs0.03PbI3 device retains over 90% of its initial PCE after 1000 h at the maximum power point (MPP) under continuous illumination. [ABSTRACT FROM AUTHOR]

Despite the ongoing breakthroughs in power conversion efficiency (PCE) of perovskite solar cells (PSCs), the presence of inherent defects in perovskite films remains the predominant hurdle impeding the further progress of this promising photovoltaic technology. Herein, we propose a straightforward yet highly effective additive strategy to passivate the bulk defects of perovskite films. Specifically, based on the two-step deposition method, a functional polymer poly(2-ethyl-2-oxazoline) (PEOXA) was introduced into the PbI2 precursor solution, facilitating the formation of the PbI2-dimethyl sulfoxide phase. This solvate facilitates subsequent intercalation reactions with organic cations, resulting in the formation of high-quality perovskite films. Additionally, due to its abundant active sites and larger molecular size, PEOXA forms a three-dimensional network structure at the perovskite grain boundaries, effectively connecting the grains and suppressing ion migration. The C = O groups in PEOXA passivate the uncoordinated Pb2+ defects at the grain boundaries, inhibiting non-radiative charge recombination in the bulk. As a result, the device PCE increased from 22.02% to 24.27%. Furthermore, the PEOXA-based PSCs exhibited excellent operational stability, retaining 86% of the initial efficiency after continuous operation for 1500 h. [ABSTRACT FROM AUTHOR]

Millimetre-scale rhombohedral PCBM crystals were fabricated on multiple substrates, including metalised glass and polymer. The multi-substrate fabrications granted the ability of characterising the crystals composition, magnetically, electrically, and mechanically. Colossal crystals were fabricated with or without P3HT, elucidating novel capabilities of the crystals for flexible and wearable electronics applications. The lone PCBM crystals were characterised for their optical and mechanical properties, whereas the P3HT coated crystals have notable magnetic and conductive performances. The substrate type played a crucial role in property-map of this organic framework, including crystal growth and segregation. The PCBM crystals combined with P3HT hold a promising future for organic photovoltaics and magnetic systems. [ABSTRACT FROM AUTHOR]

Ferro‐rotational (FR) materials, renowned for their distinctive material functionalities, present challenges in the growth of homo‐FR crystals (i.e., single FR domain). This study explores a cost‐effective approach to growing homo‐FR helimagnetic RbFe(SO4)2 (RFSO) crystals by lowering the crystal growth temperature below the TFR threshold using the high‐pressure hydrothermal method. Through polarized neutron diffraction experiments, it is observed that nearly 86% of RFSO crystals consist of a homo‐FR domain. Notably, RFSO displays remarkable stability in the FR phase, with an exceptionally high TFR of ≈573 K. Furthermore, RFSO exhibits a chiral helical magnetic structure with switchable ferroelectric polarization below 4 K. Importantly, external electric fields can induce a single magnetic domain state and manipulate its magnetic chirality. The findings suggest that the search for new FR magnets with outstanding material properties should consider magnetic sulfates as promising candidates. [ABSTRACT FROM AUTHOR]

Stereoselective inhibition aided by "tailor‐made" polymeric additives is an efficient approach to obtain enantiopure compounds through conglomerate crystallization. The chemical and configurational match between the side groups of polymers and the molecules of undesired enantiomer is considered to be a necessary condition for successful stereoseparation. Whereas in this contribution, we present an effective resolution of chiral pharmaceuticals by using cellulose acetates as the additives, which stereoselectively reside on the specific crystal faces of one enantiomer and inhibit its crystal nucleation and growth through helical pattern and supramolecular interaction complementarity. An investigation of nimodipine serves as a case study to highlight the novelty of this strategy wherein R‐crystals exhibiting an impressive enantiomeric excess value of 97 % can be attained by employing a mere 0.01 wt % cellulose acetate. Guaifenesin and phenyl lactic acid are also well‐resolved by utilizing this methodology. Our work not only brings about a brand‐new design strategy for "tailor‐made" additives, but will also promote the further exploration of the endless potential for utilizing natural biomolecules in chiral recognition and resolution. [ABSTRACT FROM AUTHOR]

The reaction of anhydrous strontium chloride with the proton transfer compound 1-H-Imidazolium Hydrogen- meso-tartrate in water resulted in the formation of polymeric tartrate complex of strontium which is characterised by SXRD, IR, UV-Visible and TG/DTG analyses. The single crystal X-ray diffraction analysis reveals that each strontium atom is eight coordinate with distorted dodecahedral arrangement. The two metal fragments are linked through central four-membered Sr2O2 ring and there is no imidazole moiety in the complex. The compound displays a rare crystallographic feature where a shared hydrogen atom is located between two carboxylic groups. This unusual arrangement of hydrogen atom with an occupancy factor 0.5, located in between two carboxylate groups balances the total charge of the structure. FT- IR study reveals the bidentate coordination mode of the ligand. The thermal behaviour of the compound was studied using TG/DTG analysis. Corrosion inhibition property of the title compound on mild steel in 1.0M HCl has been investigated using weight loss method. The formation of protective film on the mild steel surface is confirmed by Scanning Electron Microscopy images. The inhibition efficiency increases with increase in concentration of inhibitor. [ABSTRACT FROM AUTHOR]

3D superstructures (3DSs) have attracted increasing interest because of the collective synergistic effects of individual building units, but their customization relies on tedious multistep strategy or high‐end nanofabrication technology. Herein, for the first time, a facile block copolymer micelle‐mediated anisotropic growth approach is reported to fabricate gold 3DSs consisting of tunable and intersecting lamellae with sawtooth‐like edges. The preparation of the 3DSs depends on the mediation of reduction kinetics of gold precursors and adsorption of block copolymer micelles on gold crystal surfaces using disulfiram as ligands. The thickness of lamellae in the 3DSs is controllable from ≈21 to 102 nm by adjusting the weight fraction of the micellar hydrophobicity blocks and the composed lamellar number is regulated from ≈3 to ≈30. Additional morphologies, such as a dendritic mesoporous structure and meatball‐like shapes, are obtained through controlling the extent of micelle swelling. Finite‐difference time‐domain simulations demonstrate that the unique 3DSs of gold lamellae with sawtooth‐like edges form abundant hotspots giving rise to surface‐enhanced Raman scattering (SERS). The 3DSs exhibit strong electromagnetic field enhancement and excellent performance as SERS substrates for detecting 4‐mercaptobenzoic acid. [ABSTRACT FROM AUTHOR]

In order to study the crystallization blockage law and crystallization mechanism of dolomite tunnel drainage system, based on the indoor model test, the simulated crystal blockage and growth process were simulated. The phase composition and microstructure of the crystal were analyzed by energy‐dispersive X‐ray spectroscopy (EDS), scanning electron microscopy (SEM), and X‐ray diffraction (XRD). Combined with the pipeline crystal weighing, the crystal growth law and the internal cause of pipeline blockage were analyzed. The results show that the pipeline crystallization mechanism is divided into the first mechanism, the second mechanism, and the third mechanism. The crystallization blockage of the longitudinal and horizontal pipes are more serious, while the crystallization blockage of the ring pipes are less harmful. The crystallization is positively correlated with ion concentration, crystalline ions having a great influence on the blockage of pipeline crystallization, while noncrystalline ions having little influence. The crystal growth law is fast first and then slow, the crystallization affected by the coupling concentration of Cl−‐K+‐Na + ions, and positively correlated with the coupling concentration of CO32−‐SO42−‐Ca2+‐Mg2+‐Al3+ ions. Compared with the longitudinal pipes and the ring pipes, the horizontal pipes have more crystallization and higher degree of crystallization blockage per meter, while the crystallization degree of the longitudinal pipes are between the horizontal pipes and the ring pipes. [ABSTRACT FROM AUTHOR]