Crystal Research and Technology最新文献

Pharmaceutical cocrystals are emerging as a promising strategy to modify the physicochemical properties of the API (Active Pharmaceutical Ingredient). Solvent-based cocrystallization techniques involve the use of a large quantity of organic solvent and energy consumption, making continuous manufacturing challenging. The current research aimed to manufacture Fluconazole cocrystals via a mechanochemical process. The kilogram scale batch of fluconazole (FLZ) and para-hydroxy benzoic acid (PHBA) cocrystals is prepared using neat grinding and liquid-assisted grinding. Results suggested liquid-assisted grinding to be the ideal cocrystallization technique, where complete cocrystals are developed within 90 min of processing time. The FLZ-PHBA CC showed good flow characteristics with improved compressibility, tabletability, and compactibility properties. The Cocrystals showed a reduced elastic recovery rate, which is favourable for powder compression. The Heckel and Kawakita analysis of FLZ-PHBA cocrystals resulted in reduced P_k and P_y, depicting more plastic deformation and particle rearrangement. Moreover, the cocrystal presented better hygroscopic and accelerated stability than FLZ alone. The in vivo pharmacokinetic parameters of FLZ, FLZ-BA CC, and FLZ-PHBA CC are studied in Wistar rats. The study revealed that after cocrystallization, no significant change is observed in the pharmacokinetic parameters of FLZ.

Transition-metal dichalcogenides (TMDs) are nanostructures renowned for their unique lattice properties, offering significant potential in nanotechnology and materials science. In this study, we introduce 1D cellular automata (CA) framework to simulate the structural growth of TMDs on a 2D grid. By algorithmically encoding the lattice dynamics into CA rules, we replicate the spatial evolution of TMD architectures. We analyze the periodicity inherent in these CA-generated structures, reflecting the ordered growth observed in TMDs. Furthermore, we investigate the reversibility of the CA rules to examine whether the growth process can be computationally reversed, which is an essential property for theoretical modeling and nanofabrication. The entropy graphs characterize the regularity and complexity of the evolving patterns.

Although numerous studies related to liquid crystal polymer (LCP) have been carried out, there is a notable absence of data-driven evidence highlighting influential journals, leading countries, prominent institutions, and research tendency. To fill this gap, this study employs bibliometric methods to statistically examine the relevant publications. The annual publication output has shown a significant upward trend, with the number of publications in 2024 reaching a historic peak of 68, nearly quadruple the number in 2004. Among the Web of Science categories, “Materials Science Multidisciplinary” accounted for the highest proportion (33.6%). The bibliometric indicators confirm that China, the USA, and the Netherlands are leading countries, while Eindhoven University of Technology and Fudan University signified their prominent positions with the H-index of 20 and 19, respectively. The frequency of keyword occurrences over different periods suggests that the research on LCP has evolved from “basic structure and performance” to “device fabrication”, followed by “stimuli-responsive actuation”, and ultimately to “chiral photonic multifunctional integration”. The findings of this analysis are intended to help delineate the intellectual structure of the field, trace the evolution of research themes, and offer valuable insights and potential directions for future research.

Dye-sensitized solar cells (DSSCs) are attracting significant attention as alternatives to expensive semiconductor-based solar cells due to their economical and straightforward manufacturing processes. However, initiatives are underway to substitute counter electrodes (CE) in dye-sensitized solar cells (DSSCs), which traditionally utilize noble metal platinum (Pt). This study involved the preparation of tungsten diselenide (WSe₂) films using the magnetron sputtering technique, which are subsequently used as counter electrodes in a DSSCs system. Different Cu ratios are included in the WSe₂ films to enhance electron conductivity and the bonding strength between the active material and substrate. Owing to its good electrochemical properties and superior surface area, the device utilizing Cu-WSe₂ CE delivers a power conversion efficiency (PCE) of 5.54%, exhibiting improved photovoltaic parameter metrics, thereby competing with Pt (6.22%). This study elucidated the synergistic interaction between WSe₂-based CEs and electrolytes, which is crucial for achieving enhanced electrocatalytic activity in the iodide redox process. Consequently, we believe in providing this material as a viable alternative to improve energy conversion in future industrial applications.

This study examines the impact of supersolidus solution heat treatment (SSHT) on the suppression of topologically close-packed (TCP) phases and the regulation of γ′ phase size in two CMSX-4 nickel-based single-crystal superalloys with varying Re contents (3% and 5%). The results indicate that increasing the solution termination temperature or extending the holding time effectively suppresses TCP phase formation. In the 5% Re alloy, TCP phases that form after 35 h at 1340°C are eliminated by either extending the holding time to 50 h or raising the temperature to 1350–1360°C. The average γ′ phase size is influenced by the melting zone. In the 3% Re alloy, it shows little variation. While in the 5% Re alloy, it initially decreases, then increases at 1340°C, reaching a minimum of approximately 0.36 µm after 35 h. At 1350°C, the size refines from 0.41 to 0.34 µm between 15 and 35 h, but subsequently coarsens and spheroidizes to approximately 0.52 µm after 50 h. Higher temperatures expedite the process of spheroidization. This research emphasizes that SSHT effectively suppresses TCP phases. Nonetheless, excessive temperature or prolonged duration leads to spheroidization of the γ′ phases due to excessive melting.