Application Of Structure Research Articles

Zero-valent Transition Metal Intercalation into 2D Materials: Electronic Structure Modulation and Applications.

With state-of-the-art modulation of the electronic structure, novel physiochemical properties are anticipated for two-dimensional (2D) materials for a wide variety of potential applications. Due to the presence of charge transfer from transition metal guests and 2D material hosts, intercalation of zero-valent transition metal atoms into the van-der Waals gap of 2D materials are ideal approach to tuning the electronic structure of 2D materials. In this paper, several electronic structure and activity investigations of zero-valent transition metal intercalations of 2D materials, as well as the general concepts behind the experimental exploration, were introduced. Specifically, the transition metal intercalation render 2D materials novel physicochemical properties with potential applications ranges from electrocatalysis, small molecule identification to spintronics. Based on the works and concepts introduced in this paper, several challenges and opportunities related to this field were proposed from our perspective.

Chiral Pd2L4 Capsules from Readily Accessible Tröger's Base Ligands Inducing Circular Dichroism on Fullerenes C60 and C70.

The induction of chirality on pristine fullerenes through non-covalent embedding in an asymmetric nano-confinement has only been rarely reported. Bringing molecules with such a unique electronic structure and broad application range into a chiral environment is particularly appealing for the development of chiroptical materials, enantioselective photoredox catalysts and systems showing chirality-induced spin selectivity (CISS). In this study, we report the formation of a chiral, configurationally stable Pd2L4capsule assembled from aC2-symmetric, 'ribbon-shaped' ligand with a Tröger's base naphthalimide (TbNaps) backbone, easily synthesized in three steps from commercially available compounds. Embedding chirality directly into the ligand backbone ensures a relatively lightweight receptor design whose aromatic panels create a strongly shielded inner cavity of about 700 Å3volume. Fullerenes C60and C70, as well as a pair of corannulenes, can be bound in acetonitrile (where unsubstituted fullerenes are insoluble) and X-ray structures of host-guest complexes were obtained. Tight interactions between the chiral host and the fullerene guests leads to the induction of a circular dichroism (CD) on the characteristic absorption bands of the forbidden π-π* transitions of the fullerenes, backed up by sTDA TD-DFT calculations and detailed investigation of the electronic excited states.

Surface‐Assisted Passivation Growth of 2D Ultrathin β‐Bi2O3 Crystals for High‐Performance Polarization‐Sensitive Photodetectors

Abstract2D nonlayered materials (NLMs) have garnered considerable attention due to unique surface structure and bright application prospect. However, owing to the strong interatomic forces caused by intrinsic isotropic chemical bonds in all directions, the direct synthesis of ultrathin and large area 2D NLMs remains a tremendous challenge. Here, the surface‐assisted passivation growth strategy is designed to synthesize ultrathin and large size β‐Bi2O3 crystals with the thickness down to 0.77 nm and the lateral size up to 163 µm. These results are primarily ascribed to the bonding between Se atoms and the unsaturated Bi atoms on the surface of β‐Bi2O3, resulting in the surface passivation and promoting the obtaining of ultrathin β‐Bi2O3. Strikingly, the photodetectors based on β‐Bi2O3 flakes exhibit a high photoresponsivity of 71.91 A W−1, an excellent detectivity of 6.09 × 1013 Jones, a remarkable external quantum efficiency of 2.4 × 104%, an outstanding anisotropic photodetection and excellent UV imaging capability at 365 nm. This work sheds light on the synthesis of 2D ultrathin NLMs and promotes their applications in multifunctional optoelectronics.

A slip length analysis of microchannel flow with smooth and structured surfaces

One of the most significant challenges in microchannel design is the reduction of pressure drops within miniature fluidic pathways. A promising approach involves the manipulation of boundary conditions, mainly through the integration of structured hydrophobic surfaces. The mathematical characterization of these hydrophobic surfaces is achieved through the application of the Navier boundary condition, with the slip length identified as the critical parameter of interest. This paper delves into an in-depth exploration of how varying slip lengths impact the liquid flow dynamics within microchannels with a rectangular cross section. We consider a diverse range of microchannel hydraulic diameters 5–200 μm and aspect ratios from 1:1 to 1:20 for Reynolds numbers in the laminar range 10–1000. Three-dimensional calculations are performed on both conventional smooth microchannels and those equipped with air-filled groove-structured surfaces. The results are then compared with the analytical solution and experimental results. The application of a hydrophobic structure to a single microchannel surface is resulted in the friction factor reduction by over 30%, while the application of the hydrophobic structure to two opposing walls led to a reduction by over 60%. The maximum throughput is shown to be achieved for a bubble protrusion angle of approximately 0° for a microchannel with a single hydrophobic wall. The greatest reduction in the friction factor was achieved when the bubbles were positioned in a staggered configuration at bubble protrusion angles of approximately –25° for microchannel with two opposing hydrofobic walls.

Research progress on extraction, structure, bioactivity, structure-activity relationship and product applications of polysaccharides from Mori Fructus

Research progress on extraction, structure, bioactivity, structure-activity relationship and product applications of polysaccharides from Mori Fructus

Mannose: A Promising Player in Clinical and Biomedical Applications.

Mannose, an isomer of glucose, exhibits a distinct molecular structure with the same formula but a different atom arrangement, contributing to its specific biological functions. Widely distributed in body fluids and tissues, particularly in the nervous system, skin, testes, and retinas, mannose plays a crucial role as a direct precursor for glycoprotein synthesis. Glycoproteins, essential for immune regulation and glycosylation processes, underscore the significance of mannose in these physiological activities. The clinical and biomedical applications of mannose are diverse, encompassing its anti-inflammatory properties, potential to inhibit bacterial infections, role in metabolism regulation, and suggested involvement in alleviating diabetes and obesity. Additionally, mannose shows promise in antitumor effects, immune modulation, and the construction of drug carriers, indicating a broad spectrum of therapeutic potential. The article aims to present a comprehensive review of mannose, focusing on its molecular structure, metabolic pathways, and clinical and biomedical applications, and also to emphasize its status as a promising therapeutic agent.

The Application of Dramatic Structure in Digital Game Design and Its Impact on Player Emotions

This study explores how dramatic structure in digital game design engages players and evokes emotional responses. Dramatic structures typically consist of five stages: Exposition, Rising Action, Climax, Falling Action, and Denouement, which share similarities with game design frameworks that require clear objectives, conflicts, and outcomes to maintain player engagement. The research investigates how each stage elicits emotional shifts in players and amplifies immersion. Through detailed analysis and case studies of popular games, the findings indicate that dramatic structure strengthens narrative cohesion and provides a reliable framework for managing tension and emotional pacing. Game developers can use these insights to create more immersive and emotionally engaging experiences, fostering stronger emotional connections between players and virtual worlds. This framework has the potential to shape the future of game design by aligning storytelling with player agency, resulting in games that evoke lasting emotional responses. This study offers practical guidelines for developers aiming to increase a game's emotional investment and overall appeal.

Study on mechanical properties of large deformation segmental cement-based honeycomb structure

Honeycomb structures provide a new means of controlling and supporting the tunnel envelope. However, traditional honeycomb structures have low strength and poor stability, and are prone to stress concentration and instability, further limiting their application in deep tunnel support projects. In this paper, a new type of segmental cementitious honeycomb structure is investigated, its performance under different loading rates is tested, and its application in deep large deformation tunnel support is discussed. Firstly, the honeycomb model was drawn and the honeycomb skeleton was prepared. Then, the cement suspension technique was optimised. Secondly, the effects of different loading rates on the performance of segmented cement-bonded honeycomb structures were investigated by laboratory experiments. The results show that when the loading rate is 3 mm/min, the structure has the maximum load capacity and the best energy absorption performance. It is worth noting that too fast or too slow loading rate will affect the performance of the structure. Finally, the damage mechanism of the segmented honeycomb structure was further investigated by using an acoustic emission system, and the acoustic emission characteristics showed that the segmented cementitious honeycomb structure firstly went through a relatively stable stage of microcrack development under the action of the loads in all bands, and then a large area of damage was observed in the top layer of the honeycomb skeleton when the peak load was reached, resulting in the collapse of the whole layer of the honeycomb structure, which led to the collapse of the whole layer of the honeycomb skeleton. This led to the collapse of the whole layer of the honeycomb structure and a significant decrease in the bearing capacity, which confirmed the layer-by-layer damage characteristics of segmental cementitious honeycomb structures. In addition, the RA-AF values show that the loading rate has little effect on the crack type, which is almost unchanged with the increase of loading rate. These studies verify the feasibility of using honeycomb structure to support roadway with fast deformation speed and large deformation. It is of great significance to guide the application of honeycomb structure in deep roadway support engineering.

SYNTHESIS AND CHARACTERIZATION OF ADVANCED METAL-ORGANIC FRAMEWORKS (MOFS)

Objective: This study aims to summarize, compare, and discuss the structure, synthesis techniques, and novel applications of Metal-Organic Frameworks (MOFs) as sensing materials. Specifically, it focuses on their use in sensors for detecting pharmaceuticals, pesticides, heavy metals, food additives, and other contaminants. Additionally, the study explores the antibacterial applications of MOFs due to their unique physical properties. Methods: The solvothermal process for synthesizing MOF-199 was investigated by varying the ethanol-to-water solvent ratio (1:1 to 1:2), solvothermal temperatures (85°C to 100°C), and synthesis times (24 to 48 hours). Characterization of the synthesized materials was conducted using X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis to assess the structure, surface area, and pore characteristics. Results: The results indicate that MOF-199 synthesized under the optimal conditions (100°C for 48 hours with a 1:1 ethanol-to-water ratio) exhibited a specific volume of 0.693 cm³/g, a pore volume of 11.8 Å, a BET surface area of 5518 m²/g, and crystallinity of 103%. These properties are crucial for enhancing the performance of MOFs in electrochemical sensing applications. Novelty: This paper provides a detailed overview of the antibacterial applications of MOFs and their nanocomposite forms, offering new insights into their potential for sensing a wide range of chemicals and their enhanced selectivity for electrochemical analysis. The study introduces the solvothermal synthesis of MOF-199 and presents optimized parameters for its production, contributing to the development of more sensitive, cost-effective, and versatile electrochemical sensors for detecting contaminants.

Co-designing ab initio electronic structure methods on a RISC-V vector architecture

Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes to a RISC-V prototype platform leveraging a wide Vector Processing Unit (VPU). Our software tester is based on a mini-app extracted from the ELPA eigensolver library. The user-space emulator Vehave and a RISC-V vector architecture implemented on an FPGA were tested. Metrics from both systems and different vectorisation strategies were extracted, ranging from the simplest and most portable one (using autovectorisation and assisting this by fusing loops in the code) to the more complex one (using intrinsics). We observed a progressive reduction in the number of vectorised instructions, executed instructions and computing cycles with the different methodologies, which will lead to a substantial speed-up in the calculations. The obtained outcomes are crucial in advancing the porting of computational materials and molecular science codes to (post)-exascale architectures using RISC-V-based technologies fully developed within the EU. Our evaluation also provides valuable feedback for hardware designers, engineers and compiler developers, making this use case pivotal for co-design efforts.

Organic Antimony Compounds: Synthesis, Structure, and Potential Practical Applications

Organic Antimony Compounds: Synthesis, Structure, and Potential Practical Applications

Chitosan- and heparin-based advanced hydrogels: their chemistry, structure and biomedical applications

Chitosan- and heparin-based advanced hydrogels: their chemistry, structure and biomedical applications

Exploring new lead-free halide perovskites RbSnM3 (M = I, Br, Cl) and achieving power conversion efficiency > 32 %

Lead-free ABX3 inorganic perovskites, where A = Cs, Rb; BSn, Ge; and X = I, Br, Cl, have recently gained significant attention due to their remarkable optical, structural, and electronic properties, as well as their potential for solar cell applications. In this study, we thoroughly examined the optical, structural, and electronic properties of RbSnM3 (M = I, Br, Cl) perovskites through first-principles calculations and explored their application in a HTL-free solar cell structure using SCAPS-1D. Our analysis revealed that RbSnI3, RbSnBr3, and RbSnCl3 have direct band gaps of 0.828, 0.988, and 1.242 eV, respectively, using the HSE functional. The electron charge distribution indicates a strong ionic bond between Rb and the halides, as well as a significant covalent bond between Sn and the halides. Additionally, we calculated optical properties such as electron loss function, absorption coefficients, and the real and imaginary parts of the dielectric functions. We also explored the photovoltaic performance of RbSnM3 absorbers paired with a SnS2 ETL layer, investigating different thicknesses, defect densities, doping concentrations, and interface defect densities. The highest power conversion efficiencies (PCE) achieved were 26.38 %, 29.79 %, and 32.53 % for RbSnI3, RbSnBr3, and RbSnCl3 absorber layers, respectively, when paired with a SnS2 ETL. Overall, RbSnCl3 stands out as a highly promising absorber material for future photovoltaic devices, especially when combined with the SnS2 ETL layer.

Study on the impact of hydraulic characteristics of new stilling pool in the context of energy conservation, emission reduction, and green construction

In the context of peaking carbon dioxide emissions and carbon neutrality, the construction of hydropower projects has strict regulations on the demand for construction materials, which also puts forward new requirements for design organizations. Several power stations have successfully applied spillway and floodway double-discharge building shared stilling pools as the new requirements of the design program. By the stilling pool, we mean it is an energy dissipation facility that generates a bottom-flow water jump downstream of the discharge structure. However, this type of program will be due to the uneven distribution of the flow of the double building problems, leading to its flow pattern being too complex and stilling pool dissipation characteristics being unclear. For this reason, based on the hydraulic model test method, this paper studies and analyzes the hydraulic characteristics of the new type of stilling pool in the shared stilling pool scheme of the double-drainage structure when the flood relief hole is needed to dominate the flow in particular circumstances. For the problems exposed during the test, three auxiliary dissipation schemes were added to the stilling pool, and their influence on the hydraulic characteristics of the stilling pool was studied. The results show that the baffle block can effectively reduce the stilling pool's bottom flow velocity and improve the stilling pool's water flow pattern compared with other programs. The dissipation effect is better than other schemes. The related research can provide technical support for further engineering applications of the double-drainage structure shared stilling pool program.

Mechanical adjustment and prediction of metal-composite reconfigurable tubes

FML (Fiber metal laminate) is widely used in aerospace as an advanced composite material. Metal hybrid bistable composites are one type of FML structure. The hybrid bistable composite is not only deformable but also conductive. In this paper, based on a bistable metamaterial tube, it is proposed to control its shape through metal-composite layups. A theoretical prediction model with a metal slip effect is developed. The energy equation of the theoretical model was solved using the principle of minimum potential energy. The curvature variation rules of two configurations of composite tube with different metal layups and different initial curvatures are discussed. Moreover, the finite element model of the metal hybrid composite is established. Finally, the accuracy of the theoretical and finite element models was verified by experiments. The proposed metal slip model is accurate than the classical model. The effect of metal on the bistable tube was determined. The configuration of the bistable tube is controlled by layups without adding any weight. This plays an important role in deformable metamaterials and multi-functional morphing structure applications.

Termination of Prosecution Based on Restorative Justice in Indonesia it is Associated with the Renewal Criminal Law

Criminal acts arise from various aspects of human activity, including the political, social and economic spheres. The success of law enforcement is traditionally measured by the ability to bring criminals to justice and impose appropriate penalties. However, in certain minor cases, such as theft, embezzlement, and fraud with minimal losses, the public questions the need for prosecution, as they believe that prosecution does not match the seriousness of the offense. The purpose of this study is to analyze the implications and effectiveness of prosecution discontinuation based on restorative justice in the Indonesian legal framework. Using a qualitative research approach, this study examines the regulatory structure and practical application of restorative justice in Indonesia. Data was collected through document analysis and interviews with legal practitioners to explore alignment of regulations with legal principles and community expectations. The research findings show that, although restorative justice offers a viable avenue to achieve peace between offenders and victims, its implementation in Indonesia is still limited, as it is not yet embedded in the broader criminal law system. Currently, peace agreements between the parties are only considered as a mitigating factor in the sentencing process. This research suggests that stronger legal legitimacy for restorative justice, such as the inclusion of restorative justice into the Draft Criminal Procedure Code is essential to adapt to the evolving legal culture and public expectations. The implications of this research highlight the need for comprehensive criminal law reform to ensure justice that aligns with societal values and contemporary legal standards.

Formula Design of Hyperbranched Polyarylether‐Based Low Dielectric Photosensitive Resin and Study of UV‐Cured Films Properties

ABSTRACTFor large‐area electronic and high shape complexity structure applications, various solution‐processable materials are chosen as dielectric layer due to their simple molding process via spin‐coating, casting, or 3D printing at room temperature. Herein, the acrylic‐ended fluorinated hyperbranched polyaryletherketone (hb‐P6FAEK‐Ace) was used as the prepolymer and then, the composition of photosensitive resin formula was regulated by adjusting the addition ratio of hb‐P6FAEK‐Ace and diluents (acrylimorpholine [ACMO] 1,6‐Hexanediol diacrylate [HDDA]). These photosensitive resin solutions showed the relative low viscosities ranged ranging from 18 to 253 mPa S at 100°C which was in favor of the future 3D printing method and printing accuracy. Then, the obtained UV‐cured films show the maximum tensile strength up to 71.9 MPa and superior thermal properties with the Tg of 157°C–177°C and T5% of 314°C–351°C. Moreover, they also exhibited the good dielectric performance with dielectric constants of 2.43–2.20 and dielectric loss of 0.013–0.014 at 1 MHz–1 GHz. These abovementioned satisfactory performance could be ascribed to the aromatic skeleton of hb‐P6FAEK‐Ace, introduced polarizability‐CF3 groups and the inner cavities for the hyperbranched structures, also the precise control of formula composition. Additionally, the curing degree, shrinkage of solid, and moisture properties were also researched thoroughly. This work provides a simple formula design though to construct the high performance and low dielectric photosensitive resin for the requirements of microelectronic applications.

CVD graphene with high electrical conductivity: empowering applications

Abstract Graphene is an extraordinary material boasting a unique structure, enthralling properties, and promising application vistas. Particularly, the remarkable electrical conductivity of graphene confers it with an inimitable superiority in multiple fields. Endeavors have been continuously made to progressively elevate the conductivity of graphene materials that are synthesized using chemical vapor deposition (CVD), the primary means to prepare high-quality graphene in batches. From this perspective, we offer a comprehensive analysis and discussions on the growth, transfer, and post-treatment strategies evolved towards highly conductive graphene over the past five years. Large-area graphene films, ranging from monolayer to multilayer ones, are initially addressed, succeeded by graphene-based composites which enable traditional metals and non-metal materials to showcase novel or enhanced electrical performances. Eventually, an outlook for future directions to achieve higher electrical conductivity and to develop novel applications for CVD graphene materials is provided.

Co-designing ab initio electronic structure methods on a RISC-V vector architecture

Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes to a RISC-V prototype platform leveraging a wide Vector Processing Unit (VPU). Our software tester is based on a mini-app extracted from the ELPA eigensolver library. The user-space emulator Vehave and a RISC-V vector architecture implemented on an FPGA were tested. Metrics from both systems and different vectorisation strategies were extracted, ranging from the simplest and most portable one (using autovectorisation and assisting this by fusing loops in the code) to the more complex one (using intrinsics). We observed a progressive reduction in the number of vectorised instructions, executed instructions and computing cycles with the different methodologies, which will lead to a substantial speed-up in the calculations. The obtained outcomes are crucial in advancing the porting of computational materials and molecular science codes to (post)-exascale architectures using RISC-V-based technologies fully developed within the EU. Our evaluation also provides valuable feedback for hardware designers, engineers and compiler developers, making this use case pivotal for co-design efforts.

Metasurface Source Antenna Gain Improvement Using Simple Side Metal Structure.

As metasurfaces are in the spotlight, research is being conducted to incorporate them into transmitarray (TA) antennas. Among these, as an attempt to create a low-profile design, a patch antenna classified as low-gain can be utilized as an appropriate source antenna. However, for high efficiency of the TA, the gain of the source antenna must be fundamentally improved. For this, a simple side metal structure was applied to a metallic cross-type slot transmitarray. This acts as a resonant element and reflector by utilizing the electromagnetic wave radiated from the source antenna. The changes in the center frequency and gain due to the application of the side metal structure to the source antenna were analyzed. The gain of the source antenna was improved by a total of 4.63 dB. This is expected to be applied to create various source waves and to conduct future research on improving the gain in transmitarray antennas.