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This report (I) aims to investigate defect behavior during the growth of heavily phosphorus (P)-doped Czochralski silicon (HP-Cz-Si) crystals. The defects and P chemical states in as-grown crystals with a resistivity of 0.6 mΩ cm and the wafers annealed at around 600 °C were evaluated by transmission electron microscopy and hard x-ray electron spectroscopy (HAXPES). Micro-dislocation loops (MDLs) were observed in the bottom portion of the crystal, and larger stacking faults (SFs), including complex dislocation clusters, were observed in the middle portion. HAXPES revealed two different P states, P1 and P2. P1 was attributed to a substitutional P (Ps). The P2 present in as-grown crystals was found to be electrically active, while the newly formed P2 after annealing was electrically inactive, indicating that they are in different states. HAXPES evaluation of HP-Cz-Si after electron irradiation showed similar behavior to P2 after annealing, suggesting that P-vacancy (V) clusters are formed when the crystals are held at temperatures below 600 °C during crystal growth. Combining the experimental results with our theoretical analysis in the report (II) based on density functional theory calculations, we identified the following defect formation mechanisms. Interstitial P (Pi) atoms introduced at the melting point become supersaturated during cooling to 600 °C, and MDLs are generated by the aggregation of Si self-interstitials (Is) released through a position exchange from Pi to Ps. In crystal portions with a long residence time below 600 °C, supersaturated Ps transforms into P–V clusters, and Is generated simultaneously are absorbed by the MDLs, which grow into SFs containing dislocation clusters. [ABSTRACT FROM AUTHOR]

Recent studies including our own report (I) have revealed that heavily phosphorus (P) doped Czochralski-silicon (HP-Cz-Si) exhibits peculiar defect behaviors during crystal growth. HP-Cz-Si crystals with a low resistivity of around 0.6 mΩ cm (P concentration of 1.3 × 1020 P cm−3) have interstitial-type stacking faults (SFs) and dislocations, which degrade device characteristics. The purpose of this paper is to clarify what causes the defect behavior in HP-Cz-Si through theoretical calculations. The thermal equilibrium concentrations of substitutional P (Ps), interstitial P (Pi), and (Ps)n-vacancy (V) clusters (n = 1−4) were determined by using density functional theory (DFT) calculations. The concentrations of Pi ([Pi]) and (Ps)nV ([(Ps)nV]) balanced with the given Ps concentration ([Ps]) were obtained as a function of the total P concentration ([P]) and the temperature. On the basis of the calculated results those can quantitatively explain our experimental results in the report (I), we propose a defect model that accurately represents HP-Cz-Si crystal growth. The main feature of the model is that the incorporated Pi atoms at the solid/liquid interface around [Pi] = 1017 Pi cm−3 cause the formation of SFs and dislocations during the HP-Cz-Si crystal growth with around [P] = 1020 P cm−3. Furthermore, DFT calculations were performed for Pi segregation on the SF and for the photoelectron spectra of P 1s measured by hard x-ray photoelectron spectroscopy to explain the other experimental results in the report (I). [ABSTRACT FROM AUTHOR]

Crystal surfaces play a pivotal role in governing various significant processes, such as adsorption, nucleation, wetting, friction, and wear. A fundamental property that influences these processes is the surface free energy, γ. We have directly calculated γ(T) for low-index faces of Lennard-Jones (LJ), germanium, and silicon crystals along their sublimation lines using the computational cleavage technique. Our calculations agree well with experimental values for Si(111) and Ge(111), highlighting the accuracy of the method and models used. For LJ crystals, we identified a premelting onset at Tpm = 0.75Tm, marked by a sharp increase in atom mobility within the second outermost surface layer. Notably, Tpm closely aligned with the endpoint of the LJ melting line at negative pressures, Tend = 0.76Tm. We hypothesize that the emergence and coexistence of a liquid film atop the LJ crystal at Tpm < T < Tm correspond to the metastable melting line under negative pressures experienced by stretched crystal surfaces. Furthermore, our study of thin LJ crystal slabs reveals that premelting-induced failure leads to recrystallization below the homogeneous freezing limit, offering a promising avenue to explore crystal nucleation and growth at extremely deep supercoolings. Finally, no evidence of premelting was detected in the model crystals of Ge and Si, which is consistent with the experimental observations. Overall, our findings offer valuable insights into crystal surface phenomena at the atomic scale. [ABSTRACT FROM AUTHOR]

Advances in cryobiology techniques commonly target either the cooling or the warming cycle, while little thought has been given to ≪repair≫ protocols applicable during cold storage. In particular, crystallization is the dominant threat to cryopreserved samples but proceeds from small nuclei that are innocuous if further growth is forestalled. To this end, we propose a laser editing technique that locally heats individual crystals above their melting point by a focused nanosecond pulse, followed by amorphization during rapid resolidification. As a reference, we first apply the approach to ice crystals in cryoprotected solution and use Raman confocal mapping to study the deactivation of crystalline order. Then, we examine dimethyl sulfoxide trihydrate crystals that can germinate at low temperatures in maximally freeze concentrated regions, as commonly produced by equilibrium cooling protocols. We show how to uniquely identify this phase from Raman spectra and evidence retarded growth of laser-edited crystals during warming. [ABSTRACT FROM AUTHOR]

III-nitrides have fomented a revolution in the lighting industry and are poised to make a huge impact in the field of power electronics. In the III-nitride family, the crystal growth and use of hexagonal BN (h-BN) as an ultrawide bandgap (UWBG) semiconductor are much less developed. Bulk crystals of h-BN produced by the high-temperature/high-pressure and the metal flux solution methods possess very high crystalline and optical qualities but are impractical to serve as substrates or for device implementation as their sizes are typically in millimeters. The development of crystal growth technologies for producing thick epitaxial films (or quasi-bulk or semi-bulk crystals) in large wafer sizes with high crystalline quality is a prerequisite for utilizing h-BN as an UWBG electronic material. Compared to traditional III-nitrides, BN has another unique application as solid-state neutron detectors, which however, also require the development of quasi-bulk crystals to provide high detection efficiencies because the theoretical efficiency (ηi) relates to the detector thickness (d) by η i = 1 − e − d λ , where λ denotes the thermal neutron absorption length which is 47 μm (237 μm) for 10B-enriched (natural) h-BN. We provide an overview and recent progress toward the development of h-BN quasi-bulk crystals via hydride vapor phase epitaxy (HVPE) growth and the attainment of thermal neutron detectors based on 100 μm thick 10B-enriched h-BN with a record efficiency of 60%. The thermal neutron detection efficiency was shown to enhance at elevated temperatures. Benchmarking the crystalline and optical qualities of h-BN quasi-bulk crystals with the state-of-the-art mm-sized bulk crystal flakes and 0.5 μm thick epitaxial films identified that reducing the density of native defects such as vacancies remains the most critical task for h-BN quasi-bulk crystal growth by HVPE. [ABSTRACT FROM AUTHOR]

Two-dimensional colloidal crystals assembled from polystyrene nanospheres have emerged as a pivotal foundation for fabricating large-area nano-functional surfaces. These assemblies, defined by their hexagonal close-packed configuration and interlaced with grain boundaries, have garnered significant attention for applications in plasmonic structures, catalysts, photonic crystals, and inverse opals. Nonetheless, achieving consistent large-scale regularity has proven challenging due to unpredictable crystal growth and the introduction of defects. Utilizing acoustic waves excited from the airside, our experiments demonstrate the significant effects of such waves on the self-assembly process, leading to larger crystal domains and reduced defects. In comparison to the extensively studied water-end excitation techniques, our air-end excitation method introduces a novel dynamic in regulating colloidal monolayer crystallization and presents a comprehensive analysis of varying acoustic parameters, frequency, amplitude, and waveform. These findings reveal the potential of airside acoustic annealing in refining the structure of two-dimensional colloidal arrays. To elucidate our experimental observations, we delve into the theoretical underpinnings of particle dynamics, driven by classical hydromechanical constraints like surface tension and gravity. Using a qualitative estimate, we shed light on the resonant excitations and their potential role in optimizing the self-assembly process, especially focusing on resonances pertinent for enhancing cluster enlargements. Conclusively, our research, steeped in robust theoretical frameworks and groundbreaking experimental techniques, offers a multifaceted solution for perfecting two-dimensional colloidal arrays. This combined approach not only broadens the scope of acoustically induced crystallization but also charts a path for its adoption across diverse environments, signaling transformative prospects for nanomanufacturing and optical research. [ABSTRACT FROM AUTHOR]

Crystal growth is a complex process with far-reaching implications for high-performance materials across various fields. Recent advancements in structural analysis methods such as polyhedral template matching, which allows semiconductor-specific analysis, coupled with simulation technology, have enabled the comprehensive study of crystallization dynamics in semiconductors. However, the exploration of polycrystalline semiconductors created with minimal external intervention of the crystallization processes is relatively uncharted in comparison with metals. In this study, we employ molecular dynamics to simulate the growth of polycrystalline CdTe/CdS with the assumptions of classical mechanics, a Stillinger–Weber potential, an amorphous substrate, and common vapor growth conditions to allow the polycrystalline structures to evolve naturally. Post-simulation, we identify and analyze impactful structures and events, comparing them to theory and experiment to gain insight into various modes of crystallization dynamics. Two research questions guided the study: (1) How realistic are assumption-less simulated polycrystalline semiconductor structures? (2) To what extent can the approach provide insight into crystallization? The simulations, performed with minimal external control, yield polycrystalline structures mirroring experimental findings. The analysis reveals key crystallization insights, such as the role of amorphous atoms in the transition from nucleation to grain growth and the transformative impact of single events, such as dislocations, on crystallization dynamics. The method paves the way for reproducing and analyzing realistic polycrystalline semiconductor structures with minimal simulation assumptions across various growth modes. [ABSTRACT FROM AUTHOR]

This study is concerned with a theory of two-step nucleation and growth of crystals in a metastable liquid. This mechanism is that crystalline nuclei formation occurs in dense liquid clusters suspended in the solution. These clusters contain higher solution concentration and viscosity, leading to a lower surface free energy barrier and faster phase transition route. The theory is based on growth laws of crystals during the two-step bulk phase transformation. At the initial stage, the crystals evolve in a diffusion-limited environment with almost unchanged supersaturation. At the second stage, they become larger, move beyond these clusters, and evolve in accordance with a hyperbolic tangent law. A generalized particle growth law joining the first and second stages is obtained by stitching the diffusion limited and hyperbolic tangent laws. On this basis, an integrodifferential model of the evolution of a polydisperse ensemble of crystals was formulated and solved. The crystal-size distribution function increases and the solution supersaturation remains practically unchanged until the particle size corresponds to a transition in the particle growth rate from a diffusion-limited branch to a hyperbolic tangent branch. This is followed by an increase in the crystal growth rate, a decrease in the distribution function and solution supersaturation. Then the distribution function increases up to the maximum size of crystals grown in the solution. A sufficiently long time interval of almost constant supersaturation and the N-shaped behavior of the distribution function are the consequences of a two-step nucleation and growth mechanisms. [ABSTRACT FROM AUTHOR]

Molecular dynamics simulations are performed to study the crystallization of formamidinium lead iodide. From all-atom simulations of the crystal growth process and the δ-α-phase transitions, we try to reveal the formation of various stack-faulted intermediate defected structures and report various polytypes of formamidinium lead iodide that are observed from simulations. [ABSTRACT FROM AUTHOR]

Optically active spin defects in semiconductors can serve as spin-to-photon interfaces, key components in quantum technologies. Silicon carbide (SiC) is a promising host of spin defects thanks to its wide bandgap and well-established crystal growth and device technologies. In this study, we investigated the oxygen-vacancy complexes as potential spin defects in SiC by means of ab initio calculations. We found that the OCVSi defect has a substantially low formation energy compared with its counterpart, OSiVC, regardless of the Fermi level position. The OCVSi defect is stable in its neutral charge state with a high-spin ground state (S = 1) within a wide energy range near the midgap energy. The zero-phonon line (ZPL) of the OCVSi0 defect lies in the near-infrared regime, 1.11–1.24 eV (1004–1117 nm). The radiative lifetime for the ZPL transition of the defect in kk configuration is fairly short (12.5 ns). Furthermore, the estimated Debye–Waller factor for the optical transition is 13.4%, indicating a large weight of ZPL in the photoluminescence spectrum. All together, we conclude that the OCVSi0 defect possesses desirable spin and optical properties and thus is potentially attractive as a quantum bit. [ABSTRACT FROM AUTHOR]

The precipitation of struvite, a magnesium ammonium phosphate hexahydrate (MgNH4PO4 · 6H2O) mineral, from wastewater is a promising method for recovering phosphorous. While this process is commonly used in engineered environments, our understanding of the underlying mechanisms responsible for the formation of struvite crystals remains limited. Specifically, indirect evidence suggests the involvement of an amorphous precursor and the occurrence of multi-step processes in struvite formation, which would indicate non-classical paths of nucleation and crystallization. In this study, we use synchrotron-based in situ x-ray scattering complemented by cryogenic transmission electron microscopy to obtain new insights from the earliest stages of struvite formation. The holistic scattering data captured the structure of an entire assembly in a time-resolved manner. The structural features comprise the aqueous medium, the growing struvite crystals, and any potential heterogeneities or complex entities. By analysing the scattering data, we found that the onset of crystallization causes a perturbation in the structure of the surrounding aqueous medium. This perturbation is characterized by the occurrence and evolution of Ornstein-Zernike fluctuations on a scale of about 1 nm, suggesting a non-classical nature of the system. We interpret this phenomenon as a liquid-liquid phase separation, which gives rise to the formation of the amorphous precursor phase preceding actual crystal growth of struvite. Our microscopy results confirm that the formation of Mg-struvite includes a short-lived amorphous phase, lasting >10 s. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, focusing on the design and understanding of solid-state and crystalline materials. It includes articles on topics such as comparing slips induced by thermal stresses in SiC crystals, surface functionalized chalcogenides for Hg2+ removal, and structural insights into ketanserin salts. The journal also introduces a new journal, RSC Applied Interfaces GOLD, and features papers on various topics like azobenzene crystal motions, hydrogen peroxide photosynthesis, and biomass quasi-solid-state batteries. [Extracted from the article]

Numerical simulations are frequently utilized to investigate and optimize the complex and hardly in situ examinable Physical Vapor Transport (PVT) method for SiC single crystal growth. Since various process and quality-related aspects, including growth rate and defect formation, are strongly influenced by the thermal field, accurately incorporating temperature-influencing factors is essential for developing a reliable simulation model. Particularly, the physical material properties of the furnace components are critical, yet they are often poorly characterized or even unknown. Furthermore, these properties can be different for each furnace run due to production-related variations, degradation at high process temperatures and exposure to SiC gas species. To address this issue, the present study introduces a framework for efficient investigation and calibration of the material properties of the PVT simulation by leveraging machine learning algorithms to create a surrogate model, able to substitute the computationally expensive simulation. The applied framework includes active learning, sensitivity analysis, material parameter calibration, and uncertainty analysis. [ABSTRACT FROM AUTHOR]

To achieve high-performance optoelectronic devices and thermoelectric behaviour, non-stoichiometric compositions have been utilised in ternary transition metal dichalcogenides. This study marks the first report on the growth of CuxSb1−xSe2 (x = 0.2, 0.4, 0.6, 0.8) crystals using the Bridgman technique. We investigated the impact on their structural, optical, thermal and electrical properties in comparison with pure CuSbSe2. Powder X-ray diffraction confirmed the presence of the dominant orthorhombic CuSbSe2 phase along with minor secondary phases and this result was well supported by Raman spectroscopy. The crystallite size increases from 12 nm to 27 nm while the lattice strain decreases from 0.0116 to 0.0054 with Cu content in the crystal. Elemental analysis carried out by EDAX has reflected the desired stoichiometry of each crystal. FESEM images have shown flat as well as layer growth on their surfaces, thereby giving an indication that the growth of crystals occurred by a layer-by-layer growth mechanism. Raman spectra indicated the red shift in the Ag vibrational mode of CuSbSe2 with increasing Cu proportion. The direct bandgap of each crystal is reduced from 1.55 eV to 1.42 eV with higher Cu percentage which is determined from the Kubelka–Munk function using the recorded reflectance spectrum which shows that these crystals can be promising candidates for optoelectronic applications. The positive value of the Seebeck coefficient (S) demonstrates the p-type semiconducting nature of each crystal measured in the temperature range of 323 K to 593 K. Among the grown crystals, P3 (Cu0.6Sb0.4Se2) exhibited the superior power factor and ZT values of 0.0182 μW cm−1 K−2 and 0.935 × 10−4 at 595 K, respectively. The TGA of each crystal demonstrated single step decomposition, showcasing a maximum weight loss of 18.07% for the P4 crystal, which is confirmed by DTG. To assess the photodetection properties of each crystal, I–V curves and pulse photoresponses are recorded in parallel to plane configuration. Among all grown crystals, the P3 (Cu0.6Sb0.4Se2) crystal based photodetector exhibits superior responsivity and detectivity of 0.014 mA W−1 and 5.656 × 108 Jones, respectively. These findings show that these crystals can be considered as a choice for thermoelectric as well as photodetection applications. [ABSTRACT FROM AUTHOR]

Metal halide perovskites are widely employed in photodetectors (PDs) due to their exceptional photoelectric conversion ability. However, the high dark current induced by defect states during perovskite crystallization has not been well resolved, which enormously deteriorates the sensitivity of PD. Herein, a vacuum‐assisted template‐confined growth method is proposed to successfully fabricate high‐quality single crystal perovskite microwire arrays with low defect states and superior photoelectric characteristics. Experimentally and theoretically, it is proved that the fabricated perovskite microwire arrays PDs exhibit superior performance with commendable responsivity of 0.49 A W−1 and detectivity surpassing 1.21 × 1013 Jones, which profits from ultralow dark current of ≈200 fA at a 5 V bias. Particularly, the perovskite microwire arrays PD behaves the characteristics of flexible robust stability and high‐definition image recognition. This work provides a universal strategy for optimizing perovskite crystal quality and constructing high‐performance optoelectronic devices in many scenarios. [ABSTRACT FROM AUTHOR]

A novel cooperative regulatory strategy is proposed in this work to optimize the crystallization dynamics of Formamidinium (FA)‐based perovskite materials, which is achieved by meticulously incorporating the organic molecule guanidinium (GA+) and the high boiling point organic solvents N‐Methyl‐2‐Pyrrolidone (NMP) into the perovskite precursor solution synergistically. This findings indicated that the GA+ doping strategy (G‐DS) is toward to inhibits the formation of α‐phase perovskite crystals owing to its larger ionic radius, thereby promoting the formation of perovskite films with enlarged grain size. Simultaneously, the NMP‐doping strategy (N‐DS) has assisted controllable crystallization dynamics in as‐cast films by optimizing nucleation density and crystal growth rate through a delayed supersaturated environment induced re‐dissolution function. Briefly, it can assume that the crystallization dynamics dual modulation strategy enables the realization of high‐quality perovskite film with micro‐meter sized perovskite grain, appropriate internal strain and a compact, dense surface texture. The optimized films therefore exhibits powerful exciton separation energy, suppressed charge carrier recombination and reduces series resistance, leading to a remarkable champion power conversion efficiency (PCE) of 25.38% and exceptional reliability, retaining 93.09% of their initial PCE after storage the unencapsulated devices in a moisture‐rich environment for 2160 h. [ABSTRACT FROM AUTHOR]

The influence of multi‐step sintering at high temperatures was used to meticulously characterize the crystallization, mechanical, and optical properties of a SiO2−Li2O−Al2O3−K2O−P2O5${\rm SiO}_2{-}{\rm Li}_2{\rm O}{-}{\rm Al}_2{\rm O}_3{-}{\rm K}_2{\rm O}{-}{\rm P}_2{\rm O}_5$ glass system with the addition of ZrO2${\rm ZrO}_2$ and Y2${\rm Y}_2$O3${\rm O}_3$. The research began with a novel base glass composition of 3.8 wt% Li2${\rm Li}_2$CO3${\rm CO}_3$, 4.2 wt% K2${\rm K}_2$CO3${\rm CO}_3$, 4.5 wt% Al2${\rm Al}_2$O3${\rm O}_3$, 35 wt% SiO2${\rm SiO}_2$, and 2.5 wt% (NH4)2${({\rm NH}_4)}_2$HPO4${\rm HPO}_4$, to which 47 wt% ZrO2${\rm ZrO}_2$ and 3 wt% Y2${\rm Y}_2$O3${\rm O}_3$ added. The initial glass powder was sintered in two steps at low temperatures. Either 500∘C$^\circ{\rm C}$ for 10 min or 500∘C$^\circ{\rm C}$ for 10 min then a raise to 650∘C$^\circ{\rm C}$ for 20 min was used in the first step. Then, the second step of sintering was done at 850∘C$^\circ{\rm C}$. Finally, after the pellet preparation, final calcination was conducted at 1450∘C$^\circ{\rm C}$. The resulting microstructure was a composite material with various grain components embedded within a glass matrix. The low first sintering temperature triggered the optimum crystal growth, and after the final calcination process, a new glass‐ceramic named ZrSiO4−ZrO2−Zr0.95Y0.066O1.985${\rm ZrSiO}_4{-}{\rm ZrO}_2{-}{\rm Zr}_{0.95}{\rm Y}_{0.066}{\rm O}_{1.985}$–LiAl(SiO3)2${\rm LiAl}{({\rm SiO}_3)}_2$ was synthesized. The synthesized ceramics demonstrated strong diametral tensile strength and excellent Vickers micro‐hardness values, a remarkable refractive index, and optical band gaps larger than 3.1 eV. Consequently, the process of multi‐step sintering at high temperatures clenches the impending manufacture of a novel composite ceramic having remarkable hardness and good optical properties that encourage several biological, technological, and industrial applications. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, which focuses on the design and understanding of solid-state and crystalline materials. It includes various papers on topics such as metal-organic frameworks, molecular magnetic materials, and photocatalytic properties. The journal is published by The Royal Society of Chemistry, a leading chemistry community that reinvests profits back into the chemistry community. [Extracted from the article]

15 ultra-pure sapphire single crystals of 32 mm diameter and 100 mm long were grown under a stationary stable regime using the Czochralski (Cz) technique. Despite varying several growth parameters, the obtained crystals were transparent without visible macroscopic defects such as cracks, inclusions and grain boundaries. The optical absorption coefficients (α) at the 1064 nm wavelength of the grown sapphire crystals were mapped by Photothermal Deflection Spectroscopy (PDS). The crystals grown along c-axis using low pulling rates lower than 1.5 mm h−1, at 1064 nm present an very low optical absorption coefficients (α = 11 ppm cm−1). At such low levels, the origin of the optical absorption has never been explained. However, in this paper we point toward the role of Fe2+–Fe3+ and Ti3+–Ti3+ pairs. These results open the route to upscaling the growth process to achieve ultra-large sapphire crystals with outstanding optical performances, which are a key for the next generation of gravitational wave detectors. [ABSTRACT FROM AUTHOR]

Developing high performance electrochromic materials with energy storage function is essential for next generation smart display devices. Here, a double-layer NiO film (NiO-dl) was prepared by compositing the defective NiO (d-NiO) with the crystalline NiO (c-NiO), with a unique prismatic nanosheet array structure. The synergistic effect as well as the large active area with defect sites and valence modulation brought about by the (111) crystal plane-oriented growth of the sputtering process can promote the intercalation and extraction of OH− and Li+, which greatly enhances the electrochemical properties. Specifically, the NiO-dl film achieves a prominent optical modulation covering visible region (89.5 % in KOH and 64.8 % in Li+ electrolyte at 550 nm) and near-infrared region (54.5 % in KOH and 37.2 % in Li+ electrolyte at 1000 nm), a high transparent bleached state (92.7 %), a superior coloring efficiency (44.7 cm2 C−1) and robust stability (95.1 % retention after 1000 cycles). A high area capacitance of 99.5 mF cm−2 at 0.14 mA cm−2 with the promising cycling performance exhibits the supercapacitor characteristics. The comprehensive evaluation of the NiO-dl film demonstrated its exploitative potential application in electrochromic energy storage fields. [Display omitted] • The approach focuses on designing multifunctional electrochromic energy storage materials. • A NiO-dl film with (111) crystal plane-oriented growth is prepared and the formation mechanism is studied. • The improved properties stem from Ni3+ ions, Ni vacancies and synergistic effect of crystalline and defective NiO. • The NiO-dl film exhibits prominent optical modulation and promising supercapacitance. [ABSTRACT FROM AUTHOR]

Glycine manganese sulphate (GMS) crystals are produced by a slow evaporation technique at room temperature. This is confirmed that triclinic of the crystal lattice system by using single crystal X‐ray diffraction analysis and to determine the lattice parameters of the synthesised crystals. Powder XRD is used to confirm the planar indexing and crystalline structure. The Fourier Transform Infrared (FT‐IR) spectra are examined to verify that functional groups are present in the generated GMS crystals. By establishing a cut‐off wavelength of 253 nm, spectra of visible, near‐infrared, and Ultra Violet (UV) light from 200 to 1100 nm are analyzed. At frequencies ranging from 100 Hz to 8 MHz, the grown crystal's dielectric response is studied. Vickers microhardness tester is utilized to find out how strong the grown crystal is mechanically. Photoluminescence (PL) investigations often aim to detect crystal formation faults and contaminants. Etching analysis is used to find surface flaws and dislocations on the formed crystal's surface. The internal surface property of the produced crystal is investigated with scanning electron microscopy (SEM). The findings contradicted each other, suggesting that the created GMS crystal be used in opto‐electronic device applications. [ABSTRACT FROM AUTHOR]

Lead halide perovskites have emerged as attractive X‐ray detector materials, owing to properties such as strong X‐ray stopping power, excellent carrier transport, and high sensitivity. Additionally, they can be easily prepared by using solution‐based synthesis approaches. However, traditional 3D (three‐dimensional) perovskites X‐ray detectors have shown limited application due to high dark currents generated under bias voltage as a result of strong ion migration. In this work, an X‐ray detector with a vertical structure device is demonstrated using 2D (two‐dimensional) histamine lead halide perovskite single crystal HAPbI4 (HPI, HA = histamine). Due to the dielectric screening effect of diamine and the vertical structure of the HPI device, the fabricated detector shows a sensitivity of 7737 µC Gyair−1 cm−2 under a bias voltage of 30 V. Furthermore, the detector shows a sensitivity of 293 µC Gyair−1 cm−2 and detection limit of 51.38 nGyair s−1 without bias voltage, wherein the dark current is almost completely suppressed. All of these properties indicate the X‐ray detection device is a promising candidate for next‐generation optoelectronic applications. [ABSTRACT FROM AUTHOR]

Municipal solid waste (MSW) incineration bottom ash (BA) and molybdenum tailings (MTs) are bulk solid wastes that have low added value and is of a serious environmental concern. Hence, it is imperative to develop technology that potentially as convert these wastes into potential products that are safe to handle. In the present work, the goal is to synthesize glass-ceramics from BA and MTs without addition other supplement materials. The study attempts to assess the influences of raw material ratio and sintering temperature on the phase transformation, microstructure and properties of glass-ceramics. The synthesized product shows that diopside ferroan and anorthite were the dominant crystals, and the content of diopside ferroan and anorthite increased with an increase in the proportion of MTs. It was observed that the presence of Fe 2 O 3 and TiO 2 inside solid wastes promote nucleation facilitating growth of crystals. Diopside ferroan and anorthite distribute uniformly and are well interweaved, densifying the structure with favorable properties of glass-ceramics. At the optimal processing temperature the presence of Na 2 O and K 2 O in the raw materials act as fluxing agents that facilitate formation of liquid phase, that enhance diffusion and rate of crystallization. The optimal mass ratio of BA to MTs was 45:55 and the sintering temperature of 1000 °C, exhibited the best comprehensive properties of the glass ceramics. At the optimal conditions the flexural strength, Vickers hardness, bulk density and water absorption were observed to be 76.00 MPa, 5.77 GPa, 2.69 g/cm3 and 0.32 %, respectively. The leaching test proved stability of the glass ceramics, and hence can serve to be a potential way of utilizing the waste into a valuable product benefiting the environment and promoting sustainable growth. [ABSTRACT FROM AUTHOR]

This review concerns the growth process, characterization methods, and potential applications of amino acid and chloride derivatives. Derivatives of amino acids are an ideal option for nonlinear device use. Single-crystal, powder-X-ray diffraction, and high resolution-X-ray diffraction (HRXRD) analyses evaluated the crystal structure and crystalline perfection. Most of the chlorides of amino acid compounds were solidified into monoclinic and orthorhombic crystal structures. The FT-IR and NMR methods were deployed to identify the reported compounds’ functional groups and molecular identities. The UV and photoluminescence investigations were performed to investigate the optical characteristics of the reported compounds. Bis-glycine hydrogen chloride showed higher second harmonic generation (SHG) abilities. Laser damage threshold (LDT) and Z-scan analyses are briefly discussed. Dielectric spectroscopy was applied to study the dielectric features related to the applied frequency. Thermal investigations revealed that most crystals exhibited significant thermal stability, making them appropriate for device usage. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, focusing on the design and understanding of solid-state and crystalline materials. It includes highlights, communications, papers, and information on various research topics such as metal-organic frameworks, crystal growth, and hydrogen storage. The journal aims to connect the world with the chemical sciences and invest profits back into the chemistry community, showcasing a diverse range of scientific research in the field. [Extracted from the article]

Two-dimensional (2D) van der Waals (vdW) materials with promising electrical, magnetic, optical, and mechanical properties have shown great potential for next-generation electronics and spintronics. Among them, vdW Fe1+xTe with varying Fe contents exhibits exotic quantum phenomena such as magnetism and superconductivity. However, they are still underexplored for Fe1+xTe with sufficiently-high Fe contents, and the electrical transport properties of Fe1+xTe crystals with higher Fe contents are still unknown. Here, we grow a vdW antiferromagnetic crystal Fe1.3Te with a Néel temperature of ∼66 K by a Sn/Te-flux method. The as-grown Fe1.3Te has the highest Fe content (x = 0.3) compared to known Fe1+xTe systems, and shows a typical structural phase transition at ∼49 K. As the temperature increases, a transition from electron-dominated to hole-dominated charge carriers is observed in exfoliated Fe1.3Te nanosheets, with a decrease in transition temperature from ∼44 to ∼38 K by reducing the thickness from 323 to 19 nm. These findings provide opportunities for the study of Fe-based vdW magnets and their potential applications. [ABSTRACT FROM AUTHOR]

In this paper, a promising method for growing large-sized and high-quality Mg2SiO4 single crystals was explored, and a transparent Mg2SiO4 single crystal, 30 mm in diameter and 80 mm in length, was successfully grown by the Czochralski method. The morphology of dislocation was studied by chemical etching and explained by surface energy based on the density functional theory (DFT) method. And the anisotropy of its thermodynamic and optical properties was studied. The experimental results showed a maximum Mohs hardness of 6.84 and the highest thermal conductivity of 11.73 W m−1 K−1, indicating that Mg2SiO4 has higher hardness and better thermal properties. Furthermore, the refractive index curves along the three principal axes in the range of 200–1700 nm and transmittance curves in the range of 200–2500 nm were obtained. The maximum phonon energy of the Mg2SiO4 crystal was determined. Finally, the band structure and density of states (DOS) were calculated based on the DFT method. These results provide an important reference for the application of Mg2SiO4 as a near-infrared tunable laser crystal host. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Designing new materials and architectures to maintain activity and stability requires a better understanding on the anticorrosion dynamics of nanoparticles. Under‐coordinated atoms on the surface of nanoparticles can be protected by deposited shells. Real‐time observation on how protective shells grow and play a role is challenging but worthwhile. Here, protective effects of AuCl3 shells on Au nanobipyramids (NBPs) are studied in HAuCl4 aqueous solutions by in‐situ liquid cell transmission electron microscopy (LCTEM). This study is the first to observe the formation of Au‐AuCl3 core‐shell nanostructure and the corresponding anticorrosion behaviors of AuCl3 deposited shell. The presence of CTAB can substantially influence the growth mode and structure of AuCl3 shell, by a direct or indirect way, intervene the dissolution of Au NBP. These growth or dissolution kinetics here revealed at the nanoscale provide insights towards engineering of the surface anticorrosion to pursue Au nanoparticles with improved stability in acidic environment. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Inverted (p‐i‐n) perovskite solar cells (PSCs) are favored by researchers owing to their superior compatibility with flexible substrates and tandem device fabrication. Additionally, the hole transport layer (HTL) serves as a template for perovskite growth, which is critical for enhancing the device performance. However, the current research on how the HTL promotes perovskite crystallization is insufficient. Here, 4PADCB, a self‐assembled monolayer (SAM) hole transport material, was optimized as a superior template for perovskite growth through comparative analysis; accordingly, compact perovskite film with vertical growth was prepared. The better matched energy level alignment between 4PADCB and perovskite suppressed nonradiative recombination at the interface and enabled rapid hole extraction. Moreover, high‐quality perovskite film growth on 4PADCB exhibited lower Young's modulus and less residual stress. By integrating 4PADCB into p‐i‐n PSCs, the optimal device achieved a power conversion efficiency of 24.80%, with an open‐circuit voltage of 1.156 V, thus achieving the best rank among devices without perovskite post‐treatment, additives, dopants, or intermediate layers. Furthermore, the unencapsulated device demonstrated exceptional thermostability and photostability under maximum power point tracking. Thus, this work provides a new understanding for the development of novel SAMs and perovskite growth, and it is expected to further improve device performance. [ABSTRACT FROM AUTHOR]

1.55 μm laser technology has been widely applied in many fields such as military, information and communications, and biomedical. With the continuous progress in these fields, the demand for new 1.55 μm laser gain media has become stronger. However, the small non-radiative transition probability and long fluorescence lifetime between the 4I 11/2 and 4I 13/2 energy levels of Er3+ ions lead to up-conversion loss, which in turn reduces the luminescence efficiency in the 1.55 μm band. To address this problem, this paper introduces a novel Yb3+, Er3+ and Ce3+ co-doped KBa 0.94 Ca 0.06 Y(MoO 4) 3 crystal and explores the relationship between its structure and spectral properties. By doping Ce3+ ions, the non-radiative transition probability between the 4I 11/2 and 4I 13/2 energy levels of Er3+ ions is effectively increased, which significantly enhances the emission intensity of Er3+ ions in the 1.55 μm band. Meanwhile, the near-infrared luminescence mechanism of Er3+ ions and its complex competition with up-conversion and mid-infrared luminescence are elaborated in detail. In addition, the doping of Ce3+ ions also significantly enhances the energy transfer efficiency between Yb and Er, from 39.6 % to 94 %. At a Ce3+ ion concentration of 4 mol%, the crystals exhibit optimal emission intensities, indicating their great potential as laser gain media. The research presented here not only provides a comprehensive analysis of the spectral properties of the new laser gain material but also contributes to the advancement of all-solid-state laser gain media suitable for the 1.5 μm spectral range. [ABSTRACT FROM AUTHOR]

[Display omitted] The study shows for the first time a fivefold difference in the survivability of the bacterium Pseudomonas Aeruginosa (PA) in a realistic respiratory fluid droplet on fomites undergoing drying at different environmental conditions. For instance, in 2023, the annual average outdoor relative humidity (RH) and temperature in London (UK) is 71 % and 11 °C, whereas in New Delhi (India), it is 45 % and 26 °C, showing that disease spread from fomites could have a demographic dependence. Respiratory fluid droplet ejections containing pathogens on inanimate surfaces are crucial in disease spread, especially in nosocomial settings. However, the interplay between evaporation dynamics, internal fluid flow and precipitation and their collective influence on the distribution and survivability of pathogens at different environmental conditions are less known. Shadowgraphy imaging is employed to study evaporation, and optical microscopy imaging is used for precipitation dynamics. Micro-particle image velocimetry (MicroPIV) measurements reveal the internal flow dynamics. Confocal imaging of fluorescently labelled PA elucidates the bacterial distribution within the deposits. The study finds that the evaporation rate is drastically impeded during drying at elevated solutal concentrations, particularly at high RH and low temperature conditions. MicroPIV shows reduced internal flow under high RH and low temperature (low evaporation rate) conditions. Evaporation rate influences crystal growth, with delayed efflorescence and extending crystallization times. PA forms denser peripheral arrangements under high evaporation rates and shows a fivefold increase in survivability under low evaporation rates. These findings highlight the critical impact of environmental conditions on pathogen persistence and disease spread from inanimate surfaces. [ABSTRACT FROM AUTHOR]

We report on the use of a microfluidic antisolvent crystallization method to investigate the effect of solution volume on the chiral symmetry breaking (CSB) phenomena of enantiomeric sodium chlorate crystals. The utilization of a microfluidic device is capable of periodically producing emulsion droplets of uniform size and facilitates the quantitative analysis and visualization of crystallization phenomena occurring within the individual emulsions immersed in an oil continuous medium (i.e., dodecane). To promote nucleation and crystallization, a small amount of an antisolvent (i.e., ethanol) is introduced into the continuous phase. We observe that 100% CSB occurs within a certain critical emulsion volume. Beyond this critical volume, the probability of forming two different enantiomeric crystal particles increases. This solution volume-dependent CSB phenomenon can be attributed to the rapid depletion of surrounding molecules by spontaneous crystal growth after the formation of the initial nucleus within the critical volume, thereby suppressing further primary nucleation. [ABSTRACT FROM AUTHOR]

In this paper, novel tellurate crystals Lu2TeO6 and Nd:Lu2TeO6 in a trigonal system are successfully grown by the top-seeded solution growth (TSSG) method using TeO2 and Li2CO3 as fluxes. The full-width at half maximum of the X-ray diffraction rocking curve of the Lu2TeO6(100) and (001) wafers are determined to be 37′′ and 47′′, respectively. The transmittance spectra suggest that the Lu2TeO6 crystal has a wide transparency window from 0.5 to 6.5 μm. The Lu2TeO6 crystal exhibits excellent thermal properties with thermal conductivity coefficients of 2.709 W m−1 K−1 and 3.782 W m−1 K−1 along the a and c axes at 50 °C, respectively. Although the Nd:Lu2TeO6 crystal shows small polarized absorption and fluorescence anisotropy with absorption and emission peaks at 808 and 1064 nm, both the absorption and emission peak intensities along the c-axis are significantly higher compared to the a-axis. The spectra and thermal properties indicate that the Lu2TeO6 crystal may be a potential laser crystal. [ABSTRACT FROM AUTHOR]

Ga2O3 has been considered as one of the most suitable materials for x-ray detection, but its x-ray detection performance is still at a low level due to the limitation of its quality and absorbance, especially for hard x-ray. In this work, the effects of growth temperature and miscut angle of the sapphire substrate on the crystal quality of Ga2O3 thin films were investigated based on the MOCVD technique. It was found that the crystal growth mode was transformed from island growth to step-flow growth using miscut sapphire substrates and increasing growth temperature, which was accompanied by the improvement of the crystal quality and the reduction of the density of trapped states. Ga2O3 films with optimal crystal quality were finally prepared on a 4° miscut substrate at 900 °C. The x-ray detector based on this film shows good hard x-ray response with a sensitivity of 3.72 × 105μC·Gyair−1·cm−2. Furthermore, the impacts of Ga2O3 film crystal quality and trap density on the x-ray detector were investigated in depth, and the mechanism of the photoconductive gain of the Ga2O3 thin-film x-ray detector was analyzed. [ABSTRACT FROM AUTHOR]

The extensive deposits of calcium carbonate (CaCO3) generated by marine organisms constitute the largest and oldest carbon dioxide (CO2) reservoir. These organisms utilize macromolecules like peptides and proteins to facilitate the nucleation and growth of carbonate minerals, serving as an effective method for CO2 sequestration. However, the precise mechanisms behind this process remain elusive. In this study, we report the use of sequence-defined peptoids, a class of peptidomimetics, to achieve the accelerated calcite step growth kinetics with the molecular level mechanistic understanding. By designing peptoids with hydrophilic and hydrophobic blocks, we systematically investigated the acceleration in step growth rate of calcite crystals using in situ atomic force microscopy (AFM), varying peptoid sequences and concentrations, CaCO3 supersaturations, and the ratio of Ca2+/HCO3-. Mechanistic studies using NMR, three-dimensional fast force mapping (3D FFM), and isothermal titration calorimetry (ITC) were conducted to reveal the interactions of peptoids with Ca2+ and HCO3- ions in solution, as well as the effect of peptoids on solvation and energetics of calcite crystal surface. Our results indicate the multiple roles of peptoid in facilitating HCO3- deprotonation, Ca2+ desolvation, and the disruption of interfacial hydration layers of the calcite surface, which collectively contribute to a peptoid-induced acceleration of calcite growth. These findings provide guidelines for future design of sequence-specific biomimetic polymers as crystallization promoters, offering potential applications in environmental remediation (such as CO2 sequestration), biomedical engineering, and energy storage where fast crystallization is preferred. [ABSTRACT FROM AUTHOR]

This study introduces surface modification to conventional dressings utilizing adducts of a hydrogen‐bonded organic framework (HOF) with curcumin, curcumin–silver, curcumin‐zinc oxide nanoparticles, and citric acid drugs. Accordingly, eight HOF‐AMs and dressings modified with them were studied. The synthesized structures underwent characterization using various methods, including IR, 1H NMR, XRD, FE‐SEM, and EDX. FE‐SEM results show that the hexagonal morphology is maintained along with the crystal growth in the form of hexagonal tubes. In order to confirm the nanoscale nature of the structures, TEM analysis was conducted specifically for curcumin‐Ag nanoparticles and curcumin–ZnO nanoparticles which confirms the particle size smaller than 50 nm. Knowing the sensitivity of the release of the incorporated substances to temperature and pH, the controlled release of the drugs at two different temperatures (37 °C and 40 °C) and pH levels of 5.5, 7.4, and 9 at the modified dressings was investigated. Investigating the release of HOF‐AMs particles and modified dressings indicates that these products in both cases provide the possibility of drug release in alkaline and acidic pHs. Also, the results showed that increasing the temperature increases the release of curcumin particles in all its types. The modified dressings showed a loading capacity of more than 50 mg g−1. [ABSTRACT FROM AUTHOR]

The growth of spherical crystals in binary alloy melts with thermal diffusion effects under oscillatory flow is investigated analytically. Using the multiple scale method, we derive approximate analytical solutions for both the crystal interface growth rate and the solute concentration. Our results demonstrate that the Soret effect significantly influences both the solute concentration near the crystal interface and the crystal growth rate. Specifically, with a positive Soret coefficient, the growth rate of spherical crystals in a binary dilute alloy melt decreases as the coefficient increases, while the solute concentration near the interface increases. In contrast, with a negative Soret coefficient, the growth rate of the spherical crystals increases as the coefficient decreases, and the solute concentration near the interface decreases. Additionally, the presence of oscillatory flow markedly promotes the grain refinement induced by the Soret effect. [ABSTRACT FROM AUTHOR]

Electrocatalysts are extensively employed to suppress the shuttling effect in lithium-sulfur (Li-S) batteries. However, it remains challenging to probe the sulfur redox reactions and mechanism at the electrocatalyst/LiPS interface after the active sites are covered by the solid discharge products Li2S/Li2S2. Here, we demonstrate the intrinsic autocatalytic activity of the Li2S (100) plane towards lithium polysulfides on single-atom nickel (SANi) electrocatalysts. Guided by theoretical models and experimental data, it is concluded that LiPS dissociates into Li2S2 and short-chain LiPS on the Li2S (100) plane. Subsequently, Li2S2 undergoes further lithiation to Li2S on the Li2S (100) surface, generating a new Li2S (100) layer, thus enabling the autocatalytic formation of a new Li2S (100) surface. Benefiting from the autocatalytic growth of Li2S, the concentration of LiPS in the electrolyte remains at a lower level, enabling Li-S batteries under high loading and low electrolyte conditions to exhibit superior electrochemical performance. This study reveals the autocatalytic growth of Li2S crystals at the solid-liquid interface in lithium-sulfur batteries enabling good electrochemical performance under high loading and low electrolyte conditions. [ABSTRACT FROM AUTHOR]

Crystal growth of 2-(3,4,5-triphenylphenyl)acetic acid (1) from acetonitrile yields a monosolvate, C26H2O2·CH3CN, of the space group P1. In the crystal, the title molecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O-H...O-bonded molecules of 1 represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C-H...O-C bonds to form one-dimensional supramolecular aggregates running along the crystallographic [111] direction. Weak Cary1-H...N interactions occur between the molecules of 1 and acetonitrile. [ABSTRACT FROM AUTHOR]

InGaN, a group‐III nitride semiconductor, is expected to be widely used in the field of optoelectronics, owing to its excellent physical properties. However, InGaN has various limitations. This study reports face‐to‐face annealing (FFA) using vapor‐phase and in‐plane mass transport to improve the surface flatness of an InGaN template. InGaN layers are grown on a GaN template that is grown on a c‐plane sapphire substrate using metal–organic vapor‐phase epitaxy. NH3‐assisted FFA is performed at 1050 °C for 20 min, causing V‐pits to vanish from the InGaN template despite their initial density of 3.3 × 108 cm−2. The surface condition of the lower InGaN layer is worse than that of the upper InGaN layer due to the FFA‐induced upward mass transport from the lower layer, thereby eliminating the V‐pits. Compositional analysis of the upper layer through Auger electron spectroscopy and energy‐dispersive X‐ray spectroscopy reveals In peaks despite high‐temperature annealing, thus confirming the presence of InGaN. The results of this study offer possibilities for future InGaN crystal growth and InGaN‐based device fabrication. [ABSTRACT FROM AUTHOR]

The Czochralski method is the primary technique for single-crystal silicon production. However, anomalous states such as crystal loss, twisting, swinging, and squareness frequently occur during crystal growth, adversely affecting product quality and production efficiency. To address this challenge, we propose an enhanced multimodal fusion classification model for detecting and categorizing these four anomalous states. Our model initially transforms one-dimensional signals (diameter, temperature, and pulling speed) into time–frequency domain images via continuous wavelet transform. These images are then processed using a Dense-ECA-SwinTransformer network for feature extraction. Concurrently, meniscus images and inter-frame difference images are obtained from the growth system's meniscus video feed. These visual inputs are fused at the channel level and subsequently processed through a ConvNeXt network for feature extraction. Finally, the time–frequency domain features are combined with the meniscus image features and fed into fully connected layers for multi-class classification. The experimental results show that the method can effectively detect various abnormal states, help the staff to make a more accurate judgment, and formulate a personalized treatment plan for the abnormal state, which can improve the production efficiency, save production resources, and protect the extraction equipment. [ABSTRACT FROM AUTHOR]

The material family halide perovskites has been critical in recent room-temperature radiation detection semiconductor research. Cesium lead bromide (CsPbBr3) is a halide perovskite that exhibits characteristics of a semiconductor that would be suitable for applications in various fields. In this paper, we report on the correlations between material purification and crystal material properties. Crystal boules of CsPbX3 (where X = Cl, Br, I, or mixed) were grown with the Bridgman growth method. We describe in great detail the fabrication techniques used to prepare sample surfaces for contact deposition and sample testing. Current–voltage measurements, UV–Vis and photocurrent spectroscopy, as well as photoluminescence measurements, were carried out for material characterization. Bulk resistivity values of up to 3.0 × 109 Ω∙cm and surface resistivity values of 1.3 × 1011 Ω/□ indicate that the material can be used for low-noise semiconductor detector applications. Preliminary radiation detectors were fabricated, and using photocurrent measurements we have estimated a value of the mobility–lifetime product for holes (μτ)h of 2.8 × 10−5 cm2/V. The results from the sample testing can shed light on ways to improve the crystal properties for future work, not only for CsPbX3 but also other halide perovskites. [ABSTRACT FROM AUTHOR]

Multifunctional molecular switches have attracted much attention because of their unique stimulus response behavior and advanced applications. However, precise regulation of the structure for property enrichment is still a great challenge. Herein, the first case of a single‐molecule switch BN‐S with multiple structurally tunable and full‐color fluorescent properties is reported. Interestingly, BN‐S exhibits a butterfly‐like "metamorphosis" crystal growth process accompanied by full‐color fluorescence emission (including white light, CIE = 0.33, 0.33; 456 nm → 610 nm). It is shown that this is related to the reversible B←N bonding and the tunability of the spatial structure of the BN‐S. Thus, BN‐S exhibits superior multicolor tunability in different states (solid, liquid, and film), and its applications in white‐light optical light emitting diodes (OLEDs) and multicolor fluorescent inks also show great promise. This will provide a new strategy for designing and synthesizing the development of multifunctional molecular switching materials and enriching the variety of organoboron luminescent materials. [ABSTRACT FROM AUTHOR]

Most of the solidification history of magmas beneath active volcanoes takes place in chemically and physically perturbed plumbing systems where the growth of crystals is collectively governed by a range of kinetic processes related to the dynamics of crustal reservoirs and eruptive conduits. In this context, we have experimentally investigated the partitioning of major, minor, and trace cations between plagioclase and trachybasaltic melt under conventional static (no physical perturbation) and dynamic (melt stirring) crystallization regimes. Slow interface reaction kinetics are established between the advancing crystal surface and the adjacent melt, as the result of the combined control of a small degree of effective undercooling, prolonged diffusive relaxation, and convective homogenization. The kinetic aspects of plagioclase growth influence the partitioning of trace cations during transport of structural units across the crystal-melt interface, with consequent departure from macroscopic equilibrium in the system. The type and number of charge–balanced and −imbalanced configurations produced by the accommodation of trace cations into the coordination polyhedron can be thermodynamically rationalized in terms of lattice strain and electrostatic partitioning energetics. However, the overall solution energy accompanying trace cation kinetic substitutions cannot be entirely deconvoluted from major component activities in both melt and plagioclase phases. The emerging view that slow interface kinetic processes may lead to strong compositional dependence for the partition coefficient in dynamic subvolcanic environments contrasts markedly with the conventional idea that the energetics of cation partitioning are dominantly controlled by the effect of isothermal changes in the bulk system. [ABSTRACT FROM AUTHOR]

In this study, the combined effect of gelatin hydrolysate (GH) and cellulose nanofibers (CNF) on the quality parameters of frozen potatoes with and without temperature fluctuation was evaluated. Potatoes were cut, blanched, impregnated with different concentrations of GH (0.08 to 4.32% w/w) and CNF (0.08 to 4.32% w/w) combined in a central composite rotational design and frozen with and without temperature fluctuation. Bleached samples without impregnation were used as controls. Electrophoresis and FTIR analyses indicated the presence of polypeptides in the gelatin hydrolysate, and electron microscopy indicated that cellulose nanofibers have nanometric diameters (20 to 90 nm); these characteristics influence the freezing of water. The solution containing 2.20% w/w GH and 2.20% w/w CNF showed a lower freezable water content by DSC analysis (92.49 ± 0.42%), indicating greater interaction of the compounds with water in this condition. When impregnated in potato cuts, this solution promoted lower losses of fluid (19.06 ± 0.51% and 28.71 ± 0.21%, respectively) and texture (23.30 ± 0.54% and 41.95 ± 0.55%, respectively) when subjected to storage without and with temperature fluctuations, thus delaying the recrystallization of the ice. Furthermore, smaller losses in the microstructure and color of the plant tissue were observed when using this treatment. A reduction in the freezing temperature of the impregnated samples was also observed (temperatures lower than the control − 0.615 °C). The results indicated that GH and CNF have effective cryopreservation potential. [ABSTRACT FROM AUTHOR]

The development of a novel technology for extracting aluminum resources from coal fly ash through direct leaching with an ammonium hydrogen sulfate solution represents a significant advancement. A pivotal stage within this process is the reaction crystallization between NH 4 Al(SO 4) 2 ·12H 2 O solid and NH 3 ·H 2 O. Despite its many benefits, the fine particle size of the resultant product has impeded its widespread adoption. To tackle this challenge, this study concentrated on examining the growth mechanism of boehmite with larger particles in the presence of ammonia. Analysis revealed a distinct morphological evolution process for large-particle boehmite, progressing from a flaky morphology to a flower-like nanostructure with flaky features, and then further transitioning into particles displaying flower-like nanostructures and culminating in the formation of large particles with smooth surfaces. Initially, the early stages of crystallization were governed by kinetic factors, followed by a self-assembly phase, ultimately resulting in the final morphology of large particles, dictated by thermodynamic considerations. Density functional theory calculations underscored the significant role of H 2 O molecule adsorption in boehmite's growth trajectory, leading to the formation of pseudo-boehmite and inducing shifts in the X-ray diffraction peaks. The growth units remained integral throughout the entirety of the crystal growth process. [ABSTRACT FROM AUTHOR]

Copper nanoparticles (CuNPs) were successfully prepared in Cu+–Na+ ion‐exchanged commercially available silicate glasses followed by being annealed in Ar/H2 atmosphere; in an approach that can be quite economic capable of modifying the physicochemical properties of glass. This approach resulted in the growth of spherical and crystalline CuNPs, with an average size of 67.5 nm, which is greater than the CuNPs average size obtained with annealing at air atmosphere (15.8 nm). On the treated glasses, phase transitions indicative of a shape memory effect and dendritic structures were also detected, indicating their vital roles, as crystal growth mechanisms in the resultant CuNPs. The surface plasmon peaks of CuNPs have been clearly observed in absorption spectra of doped annealed glasses at 350, 450, and 550°C in Ar/H2. Photoluminescence studies have proved the presence of both Cu+ and Cu2O. The detailed methodology and the structural and morphological characterizations of the annealed copper ion‐exchanged samples were carried out using optical microscopy (OM), X‐ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and transmission electron microscopy and high‐resolution TEM (TEM and HRTEM), and their reasoning are thoroughly described and discussed. [ABSTRACT FROM AUTHOR]

To verify the anisotropic effect on the thermal properties of hen egg white lysozyme crystals, we measured the thermal conductivity and thermal diffusivity of lysozyme crystals, the c-axis of which was magnetically oriented along the wire direction. We used the transient short hot-wire method in a horizontally tilted superconducting magnet bore. The crystals were magnetically levitated at the solution interface by the radial component of the magnetic force. The crystals' thermal properties grown in the horizontal bore were consistently smaller values than those of the crystals grown in the vertical bore and randomly grown crystals without applying magnetic force. [ABSTRACT FROM AUTHOR]

The aim of this study was to assess how branched‐chain fatty acid triacylglycerols (BCFA‐TAG) at different concentrations (1–10 g/100 g) affect palm oil‐based blend PO‐PS (palm olein/palm stearin = 7/3, wt/wt) crystallization and other related performance. The addition of BCFA‐TAG significantly affected the crystallization of PO‐PS by accelerating the onset of PO‐PS crystallization through promoting the nucleation of PO‐PS crystals while delaying the growth of the crystals as a whole. The reduction in t1/2 provided good evidence of the delay, with the effect of high concentrations (10 g/100 g) being the most pronounced. Adding BCFA‐TAG to PO‐PS reduced its solid fat content (SFC), with a more significant effect at higher concentrations (5, 8, and 10 g/100 g). After 48 h of crystallization at 25°C, BCFA‐TAG induced a more compact and orderly crystalline network of PO‐PS with an increase in space‐filling, resulting in an increase in hardness. The crystal density of the higher concentration samples (PO‐PS + 10% BCFA‐TAG) decreased over storage time, suggesting a crystal dilution effect of high concentrations of BCFA‐TAG. The PO‐PS + 10% BCFA‐TAG sample maintained the β′ crystalline form throughout the 30 days of storage without conversion to the β crystalline form, thus showing a positive effect of BCFA‐TAG in alleviating the post‐hardness of the palm oil. [ABSTRACT FROM AUTHOR]

Single crystals of barium bis para-Nitrophenolate para-Nitrophenol tetrahydrate (BBPNT) were grown via the slow evaporation technique. The crystal dimensions were measured to be 15 mm × 10 mm × 6 mm. The BBPNT crystal was analyzed using X-ray diffraction, FTIR spectrum, UV–vis spectrum, dielectric studies, thermo-gravimetric (TG) differential thermal analyses (DTA), Vickers microhardness test, second-harmonic generation efficiency, Z-scan technique, PL spectra, and laser damage threshold studies. These findings were previously published in our paper. In the current situation, the theoretical methods include analyzing several aspects, such as the molecular structure determined using X-ray experimentation at its lowest energy state. This analysis is then contrasted by means of density functional theory (DFT) with a suitable set of basic functions. The first-order hyperpolarizability may also be determined via the use of Density Functional Theory (DFT) methods. The molecule's stability, resulting from hyper conjugative interactions, was examined using the natural bond orbital approach to analyses its nonlinear optical activity and charge delocalization. The magnitude of the HOMO–LUMO energy gap indicates the potential for charge transfer inside the molecule. The investigation of donor-acceptor interactions was conducted using NBO analysis based on optimized ground state geometries. [ABSTRACT FROM AUTHOR]