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The use of microfluidic fuel cells (μFCs) as power sources in the development of non-implantable biomedical devices, such as patch sensors, could be broadened with the use of physiological fluids as fuels and the use of low-cost materials. In this work, we report the evaluation of a paper-based photo-μFC working with human blood as fuel, and we implement a nanocomposite as anode that presents photoactivity under visible light. The electrocatalyst was synthesized using Zn(NO3)2 and TiCl4 as precursors of the ZnO and the TiO2, respectively, which were coated with Au nanoparticles. It was demonstrated that ZnO and TiO2 nanoparticles consisted of crystals with wurtzite and anatase phases, with average sizes of 26.6 and 19.5 nm, respectively, and the TiO2/ZnO/Au nanocomposite presents 2.62 eV of band gap energy, demonstrating its photoactivity under visible light irradiation. The photocatalyst was tested as photoanode in half-cell for glucose oxidation in aqueous solutions, under illumination and dark conditions, showing characteristics peaks of glucose oxidation in both cases, but higher current was generated under illumination. Finally, we present the implementation of this anode and the construction of a paper-based photo-μFC using human blood as fuel; its performance was evaluated under visible light irradiations and in the dark. The results show a better performance under illumination with voltage, current, and power density values of 0.95 V, 1.2 mA cm−2, and 0.458 mW/cm2, respectively, compared to the corresponding values of 0.8 V, 0.96 mA cm−2, and 0.274 mW/cm2 in dark conditions. [ABSTRACT FROM AUTHOR]

For coordinated regional growth and the development of high-quality manufacturing, China must narrow its regional energy efficiency gap and catch up inter-regionally. This paper focuses on whether China's inter-provincial manufacturing energy efficiency has technological diffusion and a catch-up effect and explores its possible influencing factors, which are important for narrowing the differences in China's manufacturing energy efficiency and promoting the improvement of the overall level of efficiency. Between 2011 and 2020, 30 Chinese manufacturing industries will be evaluated using a non-radial distance function model under environmental conditions. By employing the Dagum Gini coefficient method, regional disparities were analyzed, with hyper-variable density and efficiency discrepancies between regions making a noteworthy contribution. This paper evaluated a catch-up effect by constructing a frontier productivity model that considered the influence of China's manufacturing energy efficiency. Results show a general rise in energy efficiency, particularly in coastal regions, higher than inland ones. The Gini coefficient of energy efficiency in manufacturing experienced a slight increase; however, when comparing it to the regional efficiency frontier, the catch-up effect and technology diffusion effect of China's provincial manufacturing energy efficiency become more pronounced when taking into account the national efficiency frontier; the sub-regional manufacturing energy efficiency catch-up effect has different performances; the catch-up and technology diffusion effect is more evident after controlling for Economic development, innovation levels, the environmental regulation, and the proportion of high-energy-consumption output value and other influencing factors. [ABSTRACT FROM AUTHOR]

Meeting the growing demand for robust, earth-abundant and noble-metal-free photocatalysts for practical hydrogen-evolution reaction systems is crucial. Herein, cation modified perovskite niobates, Na0.5Sr0.5M0.25Nb0.75O3 (M = Cr, Mn, Fe, Co), are synthesized using a simple heterovalent coupled substitution strategy via solid-state reactions. The Cr compound as a single semiconductor system exhibits a photocatalytic hydrogen evolution rate of 188 μmol h−1 g−1, which significantly surpasses the performance of many contemporary catalysts that rely on the use of noble metal cocatalysts. Apparent quantum efficiencies (AQEs) of Cr, Mn, Fe and Co containing compounds are 2.24, 0.55, 0.65 and 0.74%, respectively. The photophysical properties like tuned band gap, suitable energy level positioning, charge carrier density, photostability of the materials and charge transfer resistance that are responsible for efficient spatial charge separation and charge transfer dynamics impacting the hydrogen evolution are investigated. This paper discusses the role of cation modification and its effects on the photophysical properties and hydrogen evolution activity of the perovskite niobates under noble-metal free conditions. These nonprecious noble-metal-free perovskite niobates furnish a new perspective for the future design of photocatalysts for efficient photocatalytic hydrogen evolution. [ABSTRACT FROM AUTHOR]

Co-doping of phosphorus and boron elements into crystalline silicon quantum dot (c-Si QD) is an effective approach for enhancing the photoluminescence (PL) performance. In this paper, we report on the preparation of hydrogenated silicon nitride (SiNx:H) thin films embedded with phosphorus-boron co-doped c-Si QDs via plasma enhanced chemical vapor deposition route. Mixed dilution including hydrogen (H2) and argon (Ar) is applied in the in-situ deposition process for optimizing the deposition process. The P-B co-doped c-Si QD/SiNx:H thin films exhibit a wide range of PL spectra. The emission is greatly improved especially for the short-wavelength light when compared to the SiOx:H thin film containing P-B co-doped c-Si QDs. The effects of H2/Ar flow ratio on the structural and optical characteristics of thin films are systematically investigated through a series of characterizations. Experimental results show that various properties, such as crystallinity, QD size, optical band gap and doping concentrations, are effectively controlled by tuning H2/Ar flow ratio. Based on the red-shift of QCE-related PL peak, the successful P-B co-doping into Si QDs are verified. Finally, a comprehensive discussion has been made to analyze the influence of H2-Ar mixed dilution on the film growth and impurity doping in detail in this paper. [ABSTRACT FROM AUTHOR]

Optical eigenstates with a high quality (Q) factor provide substantial advantages for a broad spectrum of optical devices, particularly those demanding strong light–matter interactions. Recently, it has been demonstrated that ultrahigh- Q resonances can be realized in planar photonic structures by merging multiple bound states in the continuum (BICs) in the momentum space. Photonic lattices with thin-film geometry are known to support abundant TE-polarized and TM-polarized BICs. While prior research has explored the merging of TE-polarized BICs, this paper presents analytical and numerical results concerning the merging of TM-polarized BICs in laterally periodic one-dimensional photonic lattices. As the thickness of photonic lattices increases, TM-polarized accidental BICs descend along the dispersion curves and eventually merge at the upper edge of the second stop band. Employing coupled-mode analysis, we calculate the analytical merging thickness at which multiple TM-polarized BICs come together at the second-order Γ point. We confirm the merging of TM-polarized BICs through finite-element method simulations. Our results can be beneficial for achieving ultrahigh- Q resonances through the merging of BICs. [ABSTRACT FROM AUTHOR]

Recalcitrant compounds resulting from anthropogenic activity are a significant environmental challenge, necessitating the development of advanced oxidation processes (AOPs) for effective remediation. This study explores the synthesis of cuprous oxide nanoparticles on cellulose-based paper (Cu2O@CBP) using Eucalyptus globulus leaf extracts, leveraging green synthesis techniques. The scanning electron microscopy (SEM) analysis found the average particle size 64.90 ± 16.76 nm, X-ray diffraction (XRD) and Raman spectroscopy confirm the Cu2O structure in nanoparticles; Fourier-transform infrared spectroscopy (FTIR) suggests the reducing role of phenolic compounds; and ultraviolet–visible diffuse reflectance spectroscopy (UV-Vis DRS) allowed us to determine the band gap (2.73 eV), the energies of the valence band (2.19 eV), and the conduction band (−0.54 eV) of Cu2O@CBP. The synthesized Cu2O catalysts demonstrated efficient degradation of methylene blue (MB) used as a model as recalcitrant compounds under LED-driven visible light photocatalysis and heterogeneous Fenton-like reactions with hydrogen peroxide (H2O2) using the degradation percentage and the first-order apparent degradation rate constant (kapp). The degradation efficiency of MB was pH-dependent, with neutral pH favoring photocatalysis (kapp = 0.00718 min−1) due to enhanced hydroxyl (·OH) and superoxide radical (O2·−) production, while acidic pH conditions improved Fenton-like reaction efficiency (kapp = 0.00812 min−1) via ·OH. The reusability of the photocatalysts was also evaluated, showing a decline in performance for Fenton-like reactions at acidic pH about 22.76% after five cycles, while for photocatalysis at neutral pH decline about 11.44% after five cycles. This research provides valuable insights into the catalytic mechanisms and supports the potential of eco-friendly Cu2O nanoparticles for sustainable wastewater treatment applications. [ABSTRACT FROM AUTHOR]

In the wake of increasing global emphasis on sustainable environmental practices, South African organisations strive to integrate green business principles into their strategies. The paper's objective was to evaluate the importance and implementation of an energy policy within the financial services sector in line with ISO50001. The paper presents findings from a quantitative non-experimental study within the South African financial services sector through a structured questionnaire. The findings showed that although the implementation of an energy policy is important, there is still a gap in the adoption of an energy policy within the financial services sector. The study further found that a notable percentage (29.5%) of respondents indicated that the energy policy did not provide sufficient guidance on energy targets and objectives. Setting an energy policy is the starting point and driving force for implementing energy management. It should be the priority of managers who have not yet done so. Further research on how energy policies are structured through content analysis could add value to organisations that have not yet implemented such policies. [ABSTRACT FROM AUTHOR]

Recent works exploiting photonic valley Hall effect show that large-area topological states can be realized by inserting gapless photonic crystal structures into topological interfaces, thus effectively introducing mode width degree of freedom. However, the previously reported works focus on gapless edge states. It is rare to investigate gapped edge states, especially large-area gapped edge states. In this paper, large-area gapped edge states in a valley photonic crystal heterostructure are achieved and experimentally proved. Compared with large-area gapless topological states, the present gapped edge states are more localized, which provides a more effective way to manipulate electromagnetic waves. We implement a topological energy concentrator and topological resonator cavity based on the large-area topological transmission with the gapped edge states. It is expected that our results broaden photonic systems, which can be used in topological lasing, field enhancement, and high-capacity energy transport. [ABSTRACT FROM AUTHOR]

Based on the hexagonal honeycomb structure and the tri-ligament chiral honeycomb structure, this paper proposes a hybrid material structure with low-frequency elastic wave suppression below 100 Hz. Based on the finite element method and Bloch's theorem, the energy band structure was calculated, and the formation of the band gap and the wave-propagation properties of the structure were carefully studied, the wave attenuation performance of the composite structure was simulated, and the influence of material properties and geometric parameters on the width and position of the band-gap distribution was discussed. The results show that the structure can generate a good band gap in the low-frequency range of 100 Hz, and the wave propagation is suppressed obviously. Demonstrating its potential in practical applications, the research in this paper provides a theoretical basis for the manufacture of low-frequency vibration damping equipment and instruments, and provides a scheme for the design of metamaterials with low-frequency band gaps. [ABSTRACT FROM AUTHOR]

Pipeline structures usually suffer from serious vibration problems due to pressure pulsation and fluid excitation, potentially compromising their structural stability and service life. In this paper, a lightweight body center cubic (BCC) meta-lattice sandwich sleeve is proposed to isolate vibrations in pipelines within a broadband frequency range. The vibration isolation is based on the concepts of the locally resonant metamaterials. An equivalent mass-spring model is conducted to theoretically predict frequency range and elucidate the generation mechanism of the band gap. In addition, an analytical methodology is also proposed to predict the equivalent stiffness of the BCC meta-lattice sleeves. The influence of geometric parameters and configuration layout of the meta-lattice on the flexural wave band gap is further investigated. Numerical studies and experimental tests are also conducted to validate the vibration isolation effectiveness, considering various pipe lengths and different numbers of meta-lattice units. The proposed design provides fundamental support for the design of lightweight vibration isolation structure for pipelines. [ABSTRACT FROM AUTHOR]

Based on the local resonance theory, the vibration isolation performance of four-component periodic pile barriers consisting of a matrix, an outer pipe, an inner pipe, and a pile core was investigated using the finite element method (FEM). This configuration is contrasted with traditional three-component periodic pile barriers, which are composed of a matrix, a pipe, and a pile core. The four-component systems demonstrate significantly broader bandgaps compared to three-component systems. To validate the efficiency of the FEM, model test on pile barriers were conducted, facilitating a comparison between the FEM and experimental observations of bandgap characteristics. Additionally, the effects of the outer pipe's density, elastic modulus, and thickness on the complete bandgap characteristics were comprehensively studied within the four-component structure. It is found that the broadest vibration isolation band gaps occur under hexagonal arrangement pattern. In square and hexagonal lattice configurations, the density, elastic modulus, and thickness of the outer pipe pile's pile have predominantly influenced the upper bound frequency (UBF). There has been a positive correlation between the elastic modulus and the UBF, while the density and thickness have shown inverse relationships. Moreover, there exists a elastic modulus threshold, marking a transition in the displacement mode of the UBF, from the outer irreducible Brillouin zone (M or X) to the inner zone (Γ). Once the threshold is exceeded, both the vibration displacement mode and the width of bandgap remain substantially unchanged. The results obtained in the present paper are very useful for the design and application of periodic pile barriers in ambient vibration reduction. [ABSTRACT FROM AUTHOR]

Materials datasets usually contain many redundant (highly similar) materials due to the tinkering approach historically used in material design. This redundancy skews the performance evaluation of machine learning (ML) models when using random splitting, leading to overestimated predictive performance and poor performance on out-of-distribution samples. This issue is well-known in bioinformatics for protein function prediction, where tools like CD-HIT are used to reduce redundancy by ensuring sequence similarity among samples greater than a given threshold. In this paper, we survey the overestimated ML performance in materials science for material property prediction and propose MD-HIT, a redundancy reduction algorithm for material datasets. Applying MD-HIT to composition- and structure-based formation energy and band gap prediction problems, we demonstrate that with redundancy control, the prediction performances of the ML models on test sets tend to have relatively lower performance compared to the model with high redundancy, but better reflect models' true prediction capability. [ABSTRACT FROM AUTHOR]

When the level of reactive oxygen species (ROS) increases abnormally in the body, it damages tissue cells and is closely related to the occurrence of various chronic diseases. Antioxidant peptides (APs) are a class of active short peptides with antioxidant capacity, which have great research value. In this paper, two APs were designed and synthesized based on the structural features of APs: CHIWM (AP1) and CHCPWM (AP2). The reactive sites and activities of APs were analyzed using the quantum chemical density functional theory (DFT) method. The reactive sites are all located in the indolyl heterocycle of tryptophan residues, among which AP1 has a smaller energy gap and single point energy. Multiple free radical scavenging assays showed that AP1 and AP2 had stronger antioxidant activity than the positive control, glutathione (GSH). For scavenging DPPH free radicals, the IC50s values were 0.613 mg/mL and 0.606 mg/mL, respectively. In cellular assays, both AP1 and AP2 were able to scavenge ROS in the cells and attenuate cellular damage. In conclusion, AP1 and AP2 designed in this paper have good antioxidant activity and have the potential to be applied in the treatment of chronic diseases caused by cellular oxidative damage. [ABSTRACT FROM AUTHOR]

In this paper, the design of a dual-band filter based on the band gap waveguide (BGW) is presented. In the low-frequency band, the TE201 mode rectangular waveguide cavity resonator was used to design the bandpass filter, which significantly reduces the impact of the high-frequency transmission line (TL). In the high-frequency band, a TE101 mode cavity resonator based on the gap waveguide (GW) structure was used to design the high-frequency band filter. A lower insertion loss can be achieved with the use of all-metal structure. A dual-band filter prototype was fabricated to verify its performance. According to the measurement results, the insertion loss is less than 1.3 dB and the return loss is better than 14 dB in the frequency range of 5.92–6.06 GHz; and the insertion loss is less than 1.77 dB and the return loss is better than 15 dB in the frequency range of 80.6–86.2 GHz. The frequency ratio is as large as 13.9, and because the high-frequency band filter is embedded in the cavity resonator of the low-frequency band filter, it saves space to a certain extent and realizes the integrated design of the dual-band filter, which is of great significance for the improvement of the performance of the dual-band communication system in higher-frequency bands. [ABSTRACT FROM AUTHOR]

CsGeI2Br-based perovskites, with their favorable band gap and high absorption coefficient, are promising candidates for the development of efficient lead-free perovskite solar cells (PSCs). However, bulk and interfacial carrier non-radiative recombination losses hinder the further improvement of power conversion efficiency and stability in PSCs. To overcome this challenge, the photovoltaic potential of the device is unlocked by optimizing the optical and electronic parameters through rigorous numerical simulation, which include tuning perovskite thickness, bulk defect density, and series and shunt resistance. Additionally, to make the simulation data as realistic as possible, recombination processes, such as Auger recombination, must be considered. In this simulation, when the Auger capture coefficient is increased to 10−29 cm6 s−1, the efficiency drops from 31.62% (without taking Auger recombination into account) to 29.10%. Since Auger recombination is unavoidable in experiments, carrier losses due to Auger recombination should be included in the analysis of the efficiency limit to avoid significantly overestimating the simulated device performance. Therefore, this paper provides valuable insights for designing realistic and efficient lead-free PSCs. [ABSTRACT FROM AUTHOR]

The utilization of lithium-ion batteries (LIBs) is increasing sharply with the increasing use of mobile phones, laptops, tablets, and electric vehicles worldwide. Technologies are required for the recycling and recovery of spent LIBs. In the context of the circular economy, it is urgent to search for new methods to recycle waste graphite that comes from the retired electrode of LIBs. The conversion of waste graphite into other products, such as new electrodes, in the field of energy devices is attractive because it reduces resource waste and processing costs, as well as preventing environmental pollution. In this paper, new electrode materials were prepared using waste anode graphite originating from a spent mobile phone battery with an xBT·0.1C12H22O11·(0.9-x)(NH4)2HPO4 composition, where x = 0–50 weight% BT from the anodic active mass of the spent phone battery (labeled as BT), using the melt quenching method. Analysis of the diffractograms shows the graphite crystalline phase with a hexagonal structure in all prepared samples. The particle sizes decrease by adding a higher BT amount in the composites. The average band gap is 1.32 eV (±0.3 eV). A higher disorder degree in the host network is the main factor responsible for lower band gap values. The prepared composites were tested as electrodes in an LIB or a fuel cell, achieving an excellent electrochemical performance. The voltammetric studies indicate that doping with 50% BT is the most suitable for applications as electrodes in LIBs and fuel cells. [ABSTRACT FROM AUTHOR]

The polymer semiconductor material known as graphitic carbon nitride (g-C3N4) has been extensively utilized for the removal of pollutants in wastewater treatment due to its notable visible photocatalytic efficiency, cost-effectiveness, straightforward synthesis, and chemical robustness. Nonetheless, unmodified g-C3N4 still exhibits deficiencies including suboptimal visible light absorption, pronounced electron-hole recombination, and wide band gaps, resulting in constrained photocatalytic efficacy. Through extensive research efforts, diverse modification approaches have been devised to enhance its photocatalytic capabilities. This paper systematically introduces the development history, preparation methods, photocatalytic mechanisms, advantages, and disadvantages of novel g-C3N4 materials, the various modification strategies including morphology control, element doping, defect construction, semiconductor coupling, and hetero-structure construction. In this paper, the preparation process, characterization results, practical applications, and performance enhancement effects of various elementally doped g-C3N4 materials in pollutant removal are discussed in detail, indicating the advantages of multielement doping modification strategy have obvious advantages in improving the photocatalytic performance of g-C3N4, highlighting the future prospects of g-C3N4 materials. [ABSTRACT FROM AUTHOR]

In this paper, a multi-layered mushroom-type electromagnetic band gap (EBG) structure is proposed. A double layer two via EBG (DLTV EBG) structure is designed at 1.65 GHz. The proposed DLTV-EBG structure consists of a two-layer dielectric substrate, which reduces the lateral sizes due to a multilayer topology. By adjusting the patch dimensions and positions of the vias, the center frequency, and equivalent L and C parameters meet design requirements. In a DLTV-EBG, layer-1 has a square ring patch; layer-2 has a circular ring; outer square ring patch with 2 edged located vias gives the additional capacitance and inductance to achieve compactness. The simulation of the DLTV-EBG structure is carried out using the Ansys high-frequency structure simulator (HFSS) and experimentally validated. The band gap of the DLTV-EBG structure is measured using suspended microstrip line (SML) method. The Experimental results agree well with simulation one. The periodic size of the proposed DLTV-EBG structure is 0.05λ1.65 GHz, which is a good candidate where compact size is highly desired. [ABSTRACT FROM AUTHOR]

This research paper reports the fabrication and evaluation of titanium dioxide (TiO2)- and zinc oxide (ZnO)-based dye-sensitized solar cells with anthocyanin dye extracted from pomegranate. TiO2 and ZnO were synthesized using the hydrothermal synthesis and chemical bath deposition techniques, respectively. The scanning electron microscopy analysis showed that TiO2 had nanopillars made up of nano rods with dimensions of 111.866, 90.521, and 81.908 nm, while ZnO had hexagonal patterned nanorods with lengths of 283.294 nm and diameters of 91.782 nm. The absorption spectra of the pomegranate dye were analysed and the strongest absorption peak was found to be at 520 nm, which corresponds to the existing anthocyanin pigment. The band gap of pomegranate dye was noted down to be 2.45 eV. The performance of the dye-sensitized solar cells was evaluated using one sun illumination (100 mW/cm2) where the dye-sensitized solar cell with TiO2 nanopillars achieved an improved efficiency of 0.46% whereas the dye-sensitized solar cell with ZnO nanorods showed a considerably reduced efficiency of 0.42%. [ABSTRACT FROM AUTHOR]

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The single-layer MoS2 is a highly sought-after semiconductor material in the field of photoelectric performance due to its exceptional electron mobility and narrow bandgap. However, its photocatalytic efficiency is hindered by the rapid recombination rate of internal photogenerated electron–hole pairs. Currently, the construction of heterojunctions has been demonstrated to effectively mitigate the recombination rate of photogenerated electron–hole pairs. Therefore, this paper employs the first principles method to calculate and analyze the four heterojunctions formed by MoS2/WSe2, MoS2/MoSe2, MoS2/AlN, and MoS2/ZnO. The study demonstrates that the four heterojunctions exhibit structural stability. The construction of heterojunctions, as compared to a monolayer MoS2, leads to a reduction in the band gap, thereby lowering the electron transition barrier and enhancing the light absorption capacity of the materials. The four systems exhibit II-type heterojunction. Therefore, the construction of heterojunctions can effectively enhance the optical properties of these systems. By forming heterojunctions MoS2/WSe2 and MoS2/MoSe2, the absorption coefficient in the visible light region is significantly increased, resulting in a greater ability to respond to light compared to that of MoS2/ZnO and MoS2/AlN. Consequently, MoS2-based heterojunctions incorporating chalcogenide components WSe2 and MoSe2, respectively, exhibit superior catalytic activity compared to MoS2 heterojunctions incorporating non-chalcogenide components ZnO and AlN, respectively. The absorption spectrum analysis reveals that MoS2/MoSe2 exhibits the highest light responsivity among all investigated systems, indicating its superior photoelectric performance. [ABSTRACT FROM AUTHOR]

This paper examines the influence of building characteristics, occupant demographics and behaviour on gas and electricity consumption, differentiating between family groups; homes with children; homes with elderly; and homes without either. Both regression and Lasso regression analyses are used to analyse data from a 2019 UK-based survey of 4358homes (n = 1576 with children, n = 436 with elderly, n = 2330 without either). Three models (building, occupants, behaviour) were tested against electricity and gas consumption for each group. Results indicated that homes without children or elderly consumed the least energy. Property Type emerged as the strongest predictor in the Building Model (except for homes with elderly), while Current Energy Efficiency was less significant, particularly for homes with elderly occupants. Homeownership and number of occupants were the most influential factors in the Occupants Model, though this pattern did not hold for homes with elderly. Many occupant and behaviour variables are often considered 'unregulated energy' in calculations such as SAP and are thus typically disregarded. However, this study found these variables to be significant, especially as national standards improve. The findings suggest that incorporating occupant behaviour into energy modelling could help reduce the energy performance gap. [ABSTRACT FROM AUTHOR]

The oxide and halide perovskite materials with a ABX3 structure exhibit a number of excellent properties, including a high dielectric constant, electrochemical properties, a wide band gap, and a large absorption coefficient. These properties have led to a range of applications, including renewable energy and optoelectronics, where high-performance catalysts are needed. However, it is difficult for a single structure of perovskite alone to simultaneously fulfill the diverse needs of multiple applications, such as high performance and good stability at the same time. Consequently, perovskite nanocomposites have been developed to address the current limitations and enhance their functionality by combining perovskite with two or more materials to create complementary materials. This review paper categorizes perovskite nanocomposites according to their structural composition and outlines their synthesis methodologies, as well as their applications in various fields. These include fuel cells, electrochemical water splitting, CO2 mitigation, supercapacitors, and optoelectronic devices. Additionally, the review presents a summary of their research status, practical challenges, and future prospects in the fields of renewable energy and electronics. [ABSTRACT FROM AUTHOR]

Purpose: Despite the number of quality management procedures being currently applied, construction defects in the domestic sector are acknowledged to contribute to the energy performance gap of buildings. This paper investigates the limitations and challenges to the implementation of project quality plans (PQPs) and their impact on the achievement of expected thermal performance in the UK social housing projects. Design/methodology/approach: A qualitative approach, guided by grounded theory, was used in this research. This methodology provided the structure for systematic data analysis iterations, enabling cross-case analysis. An analytic induction process was designed to seek the explanation of the targeted phenomenon and required data collection until no new ideas and concepts emerged from the research iterations. This study collected data from five social housing projects through interviews, site observations and project documentation. Findings: Multiple limitations and challenges were identified in the implementation of PQP to deliver thermal efficient social housing. Generally, there is the need for more objective quality compliance procedures based on required evidence. When investigating the root of the challenges, it was concluded that the adoption of statutory approval as the main quality compliance procedure led to the dilution of the responsibility for prevention and appraisal of defects that compromised the effectiveness of PQP devised by housing associations (HA) and contractors. Originality/value: This study identifies the shortcomings of PQP in addressing quality issues with potential to undermine the thermal performance of social housing projects. The findings could be used by HA, contractors and policymakers as steppingstones to improve the energy efficiency in the domestic sector. [ABSTRACT FROM AUTHOR]

The primary goal of this paper is to study a few advantages of bulk nanoparticles of Cu-doped SnO2 using the solid-state reaction method. Many innovative methods were employed to evaluate the special tuning of the bandgap and other structural and morphological properties of the material. X-ray diffractometer (XRD) confirmed that tin oxide has a rutile-type tetragonal-shaped structure with space group P42 / mnm. The average crystallite size was calculated which was found to increase from 53 to 80 nm by increasing the Cu-doping from x = 0 to x = 0.30. SEM images specified that nanoparticles are inhomogeneous and densely close to each other and the average particle size was found to be in the range of ~225–430 nm. Transmission electron microscopy (TEM) images showed the grains present in a few cubic and spherical shapes and grain size was increased (~20–90 nm) with doping of copper in the SnO2 lattice. UV–Vis spectroscopy showed that the band gap increased from 3.531 to 3.701 eV for pure SnO2 and Cu-doped SnO2, respectively. XPS identified the electronic state of Sn as well as Cu atoms as 4 + and 2 + , respectively. Raman spectroscopy showed that only three vibrational modes, i.e., A1g, B2g and doubly degenerate Eg, exist in a sample. [ABSTRACT FROM AUTHOR]

Nanoparticles, considered building blocks of nanotechnology, are a topic of widespread research due to their extraordinary properties that are useful in diverse sectors. Among all nanoparticle types, TiO2 (anatase) has drawn the most attention, primarily because of its superhydrophilic properties and effective antibacterial actions. Its applications include self-cleaning of solid surfaces, treatment of water and air, production of clean energy, treatment of microbial infections, pesticide management, etc. making TiO2 a focal point of research in materials science. However, the lack of photosensitivity to visible light (>390 nm) reduces the scope for utilising TiO2 in photocatalytic processes. Therefore, most studies on TiO2 nanoparticles have focused on broadening their spectral sensitivity through band gap manipulation for effective photocatalysis under visible light. Researchers have doped/co-doped metals and non-metals, such as N, C, F, S, B, Cu, Fe, V, Pt, etc. to nano-TiO2 to shorten its band gap with varying degrees of success. This review paper mainly focuses on the mechanism and effectivity of N and Fe co-doped TiO2 nanoparticles. The progress of scientific research on TiO2 photocatalysis has introduced an array of new applications using TiO2 nanoparticles, and these applications have also been discussed in this article. [ABSTRACT FROM AUTHOR]

Exploration of compounds featuring multiple anions beyond the single-oxide ion, such as oxyhalides and oxyhydrides, offers an avenue for developing materials with the prospect of novel functionality. In this paper, we present the results for a mixed anion layered material, ScHX2 (X: Br, I) based on density functional theory. The result predicted the ScHX2 (X: Br, I) monolayers to be stable and semiconducting. Notably, the electronic and mechanical properties of the ScHX2 monolayers are comparable to well-established 2D materials like graphene and MoS2, rendering them highly suitable for electronic devices. Additionally, these monolayers exhibit an ability to adjust their band gaps and band edges in response to strain and substrate engineering, thereby influencing their photocatalytic applications. [ABSTRACT FROM AUTHOR]

In the present work, Al-doped (0, 1, 2 and 3%) ZnO nanoparticles (NPs) are synthesised by green combustion method (GCM) using Terminalia Catappa seeds (TCS) extract as a novel fuel. For the synthesis Zinc nitrate and Aluminum nitrate are used as precursor and dopant respectively. The synthesised NPs are characterised by XRD, FTIR, UV-vi and impedance spectroscopy. The XRD analysis shows decrease in crystallite size varies between 40 to 26 nm as dopant increases. The FTIR spectrum reaffirms the formation of Zn-O bonding structure at 454.28 cm−1. UV-Vi spectroscopic studies show the optical band gap of 3.63, 3.53, 3.22 and 3.19 eV for Al doped (0, 1, 2 and 3%) ZnO NPs. Thermal analysis for the synthesised Al-doped (0, 1, 2 and 3%) ZnO nanoparticles are analysed using TGA/DTA studies. The Electrical characteristics are studied at various temperatures (50 to 350°C) by varying frequency (10 Hz to 8 MHz). In low frequency regions, dielectric constant and dielectric loss increases with rise in temperature. The constant AC conductivity is observed in lower frequencies and increases for higher frequencies for all doped ZnO NPs. ZnO NPs prepared with 2% of doping exhibit improved structural and electrical properties. Hence these ZnO NPs may be used as sensing material for vibration sensor. Highlights: This paper focus on green synthesis of undoped and Al-doped ZnO nanoparticles by combustion method. ZnO nanoparticles are synthesised using zinc nitrate precursor, Aluminium nitrate as dopant and Terminalia catappa seed extract as fuel. Effect of Al (0, 1,2 and 3%) doping on microstructural, optical, thermal and electrical properties of ZnO nanoparticles are investigated. The green synthesised doped and undoped ZnO nanoparticles exhibit hexagonal wruzite structure with high crystallinity. The FTIR spectrum reaffirms the formation of Zn-O bonding structure at 454.28 cm-1 The optical band gap is found to be 3.63, 3.53, 3.22 and 3.19 eV for 0, 1,2 and 3% of Al doped ZnO nanoparticles respectively. AC conductivity of ZnO nanoparticles is found to be increased with 2% of Al doped ZnO nanoparticles. Result shows an improved structural, optical and electrical performance for 2% Al doped ZnO nanoparticles and hence these nanoparticles are suitable material for sensors, organic light emitting diodes and liquid crystal displays. [ABSTRACT FROM AUTHOR]

The multiplicative first Zagreb index is the product of the square of the degree of vertices in a graph G. The multiplicative reformulated first Zagreb index is defined as Π1, e (G) = Πx12x2∈E(G) (dG(x1) +dG(x1) - 2)²,where E(G) is the edge set of a graph G and dG(x1) is the degree of a vertex x1 in a graph G. In this paper, we characterize the minimum and maximum trees and unicyclic graphs with respect to matching and perfect matching using this graph invariant Π1,e(G) among the collection of all n-vertex graphs. [ABSTRACT FROM AUTHOR]

BiOBr with different preferred growth orientation facets would show a different photocatalytic performance. When decorated in situ with metallic Bi nanoparticles, Bi/BiOBr would commonly display an enhanced photocatalytic performance. In this paper, the BiOBr nanoplates with preferred growth orientation (102) facet and (110) facet were first synthesized using a hydrothermal method. Then, some metallic Bi nanoparticles were modified in situ onto the (110)BiOBr nanoplates, which was expected to show a much more enhanced photocatalytic performance. All samples were characterized using XRD, FE-SEM, TEM, N2 adsorption–desorption, UV–vis and XPS. FE-SEM and TEM images showed that the grain size of the metallic Bi particles was about 5 nm to 10 nm. UV–vis spectra showed that, after some metallic Bi nanoparticles were modified on (110)BiOBr nanoplates, the light absorbance in the visible light region at 400–700 nm became stronger and their optical band gap became larger. N2 adsorption–desorption tests showed that the Bi(x)/(110)BiOBr nanosheets possessed larger specific surface areas than that of the (102)BiOBr and (110)BiOBr nanoplates. The XPS results showed that Bi(x)/(110)BiOBr contained more oxygen vacancies and a more negative value of the conduction band minimum. The photocatalytic performance of (102)BiOBr, (110)BiOBr and Bi(x)/(110)BiOBr were tested in the photocatalytic degradation of rhodamine B under visible light irradiation for 2 h; their photocatalytic efficiency was 45%, 75% and 80%, respectively. In comparison to (102)BiOBr, (110)BiOBr exhibited much higher photocatalytic activity, while for Bi(x)/(110)BiOBr, despite the surface Plasmon resonance effect, a larger specific surface area and more oxygen vacancies, the enhancement of the efficiency was limited, which might have resulted from the larger optical band gap. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) piezoelectric nanomaterials have widely been studied recently due to their promise for various applications in technology. Investigation of vertical piezoelectricity will contribute to a deeper understanding of the intrinsic mechanism of piezoelectric effects in the 2D structures. In this paper, we report a first-principle study for the structural, electronic, piezoelectric, and transport properties of new-designed Janus WSi Z 3 H (Z = N, P, and As) monolayers. The structural stability of WSi Z 3 H is theoretically confirmed based on the energetic, phonon dispersion, and also elastic analyses. At the ground state, while WSiN 3 H is an indirect semiconductor, both WSiP 3 H and WSiAs 3 H are predicted to be direct semiconductors with smaller bandgaps. When the spin-orbit coupling effects are taken into account, a large valley spin splitting is observed at the K point of WSi Z 3 H materials. Interestingly, a giant Rashba spin splitting is found in WSiP 3 H and WSiAs 3 H with Rashba constant α R up to 770.91 meV Å. Additionally, our first-principles study indicates that Janus WSi Z 3 H monolayers are piezoelectric semiconductors with high out-of-plane piezoelectric coefficient | d 31 | , up to 0.15 pm/V, due to the broken mirror symmetry. Besides, with high electron mobilities and also possessing direct band gaps, WSiP 3 H and WSiAs 3 H monolayers are favorable for applications in optoelectronics. [ABSTRACT FROM AUTHOR]

In this paper, a NiAl-LDH with the characteristic structure of a hydrotalc-like compound was applied as a carrier in a two-step hydrothermal process, and a MnCdS/In2S3/NiAl-LDH composite material was successfully prepared by loading MnCdS and In2S3 on the flower spherical-like surface of NiAl-LDH. The combination of NiAl-LDH with In2S3 and MnCdS made the band gap smaller and the light absorption range larger, thus increasing the utilization rate of light. 50% MnCdS/In2S3/NiAl-LDH composites had the best photoinduced charge separation and highest surface enrichment of photogenerated electrons. In the degradation experiment of crystal violet (CV), 50% MnCdS/In2S3/NiAl-LDH composites showed superior photocatalytic degradation efficiency (>98.5%) under full spectrum light. Furthermore, the applicability and universality of photocatalysts were studied by observing the degradation of CV by MnCdS/In2S3/NiAl-LDH composites under different conditions. In addition, the composites showed excellent hydrogen production capacity in the photolysis of water, in which hydrogen production within 8 hours was about 7661.51 μmol g−1. By combining the results of active species capture experiments, density functional theory (DFT) calculations and photoelectrochemical experiments, the possible mechanism of double S-scheme heterojunction photocatalysis among NiAl-LDH, In2S3 and MnCdS was inferred, which is one of the main reasons for the enhancement of photocatalytic activity. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry." It includes the titles and authors of various articles published in the journal, covering topics such as the synthesis and reactivity of hydride complexes, sustainable copolymers, and the structure and behavior of various metal complexes. The journal is published by The Royal Society of Chemistry, a leading chemistry community. [Extracted from the article]

This paper reviews sintered silver (s-Ag) die-attach materials for wide band gap (WBG) semiconductor packaging. WBG devices that die-attach with s-Ag have attracted a lot of attention owing to their low energy loss and high temperature operation capabilities. For their practical operation, a reliability design should be established based on the failure of physics of the s-Ag die layer. This paper first focuses on the material characteristics of the s-Ag and tensile mechanical properties. Then, the s-Ag die-attach reliability is assessed with high-temperature storage, power cycling, and thermal shock tests. Each fracture mode was discussed by considering both the fracture surface analysis results and its mechanical properties. Finally, the effective reliability design parameters of the s-Ag die layer are introduced. [ABSTRACT FROM AUTHOR]

This paper proposes a full-duplex (FD) antenna design with passive self-interference (SI) suppression for the 28 GHz mmWave band. The reduction in SI is achieved through the design of a novel configuration of stacked Electromagnetic Band Gap structures (EBGs), which create a high impedance path to travelling electromagnetic waves between the transmit and receive antenna elements. The EBG is composed of stacked patches on layers 1 and 2 of a four-layer stack-up configuration. We present the design, optimization, and prototyping of unit antenna elements, stacked EBGs, and integration of stacked EBGs with antenna elements. We also evaluate the design through both HFSS (High Frequency Structure Simulator) and over-the-air measurements in an anechoic chamber. Through extensive evaluations, we show that (i) compared to an architecture that does not use EBGs, the proposed novel stacked EBG design provides an average of 25 dB of additional reduction in SI over 1 GHz of bandwidth, (ii) unit antenna element has over 1 GHz of bandwidth at −10 dB return loss, and (iii) HFSS simulations show close correlation with actual measurement results; however, measured results could still be several dB lower or higher than predicted simulation results. For example, the gap between simulated and measured antenna gains is less than 1 dB for 26–28 GHz and 28.5–30 GHz frequencies, but almost 3 dB for 28–28.5 GHz frequency band. [ABSTRACT FROM AUTHOR]

The widespread use of antibiotics leads to the pollution of the water environment. Photocatalytic technology is considered as an effective way of removing antibiotics from the water environment. In this paper, a semi-embedded CdS/tubular g-C3N4 (CdS/TCN) heterojunction photocatalyst was designed and prepared by hydrothermal, in situ oil bath and thermal polymerization methods. Then Ni nanoparticles were loaded onto the surface of CdS/TCN by an in situ photoreduction method to form high performance photocatalyst Ni–CdS/TCN. The degradation rate of tetracycline hydrochloride (TCH) by Ni–CdS/TCN-6 was about 1.9 times higher than that of bulk carbon nitride (BCN) under visible light irradiation for 30 min. The high specific surface area, the effective heterojunction and loaded Ni broaden the light absorption range, narrow the band gap and improve the photogenerated carrier separation efficiency and migration rate. Beyond that, loaded Ni also inhibits photocorrosion and improves the stability of the photocatalyst. The present work provides a new way for designing a semi-embedded heterojunction photocatalyst. [ABSTRACT FROM AUTHOR]

The research addresses the pressing need to understand wind conditions for optimal wind energy utilization, a crucial aspect of achieving global energy sustainability. While previous studies have focused on assessing wind energy potential and terrain roughness, gaps persist in understanding how wind and spatial conditions affect blade geometry. Therefore, this study aims to investigate the impact of local wind conditions on wind turbine blade geometry, integrating nonuniform wind inflow due to wind shear into the theoretical model. Through the paper, it explores blade design for varying inflow conditions and analyses the relationship between terrain type and blade designs. A novel approach to wind turbine blade design, utilizing a theoretical model that combines the local momentum theorem with insights from propeller vortex theory was adopted. Through the analysis, the authors demonstrate that variations in terrain significantly influence blade geometry, underscoring the necessity for tailored turbine designs based on local conditions. The findings reveal discrepancies in blade geometry across different turbine capacities and terrain types, offering novel insights into wind turbine performance optimization. By tailoring blade geometry to specific locations enhances resource utilization, offering insights for energy policymakers. The research provides validated methods for optimizing turbine geometric parameters, opening avenues for increased local investment in wind energy and promoting distributed energy development. Illustrated with wind plants examples, the paper concludes by outlining future research directions in this field. [ABSTRACT FROM AUTHOR]

Periodic structures are a type of metamaterial in which the physical properties depend not only on the details of the unit cell but also on how unit cells are arranged and interact with each other. In conventional engineering structures, each unit cell interacts with adjacent cells. Methods developed for vibrational and wave propagation analysis in periodic engineering structures consider only nearest-neighbor interactions. The dispersion curves of such systems, in which only adjacent cells interact, have been extensively studied. Metamaterial properties depend on the interactions of a unit cell with other cells. Further interactions, and specifically, interactions beyond the closest neighbors, imply a more complex band structure and wave behavior. In this paper, an example class of such structures, in which electrostatic forces are the driving force, has been investigated. In this paper, properties affecting these periodic structures, such as elastic forces, have been investigated. An attractive property of such structures is that the band structures of such metamaterials can be tuned by changing electric voltages. [ABSTRACT FROM AUTHOR]

In the present paper, we have conducted both theoretical and experimental investigations on thin films of lead sulfide (PbS). The structural and morphological properties of these films, which were prepared using the spray pyrolysis method, were analyzed utilizing X-ray diffraction (XRD) and scanning electron microscopy (SEM). Theoretical calculations were performed employing the first principles full potential linearized augmented plane wave (FP-LAPW) approach. The findings of this study reveal that the PbS film that was deposited is polycrystalline and possesses a rock-salt structure. The SEM image depicts a planar structure with dimensions ranging from 480 to 930 nm. The results obtained through energy dispersive spectroscopy (EDS) indicate high crystalline quality, and the film surface exhibits a rough texture and a dense morphology. In terms of its behavior, PbS acts as a semiconductor with a direct optical band gap situated at the L point of the Brillouin zone (BZ). The density of states on both sides of the band gap is primarily of s-p character. The ionic nature of PbS can be attributed to charge transfer. A substantial level of agreement has been observed between the experimental and theoretical results. Our ongoing research endeavors aim to explore biosensors and their various applications. The novelty of this work lies in the combined study of the structural and morphological properties of PbS films grown using the spray pyrolysis technique, employing both experimental and theoretical approaches. This paper describes a comprehensive approach to understanding bulk and thin-film PbS materials through theory and experimentation. [ABSTRACT FROM AUTHOR]

ZnO and Zn(0.97-x)Al0.03MnxO (x = 0.00 (AlMnZ0), 0.04 (AlMnZ4), 0.05 (AlMnZ5) and 0.06 (AlMnZ6)) nanopowders that have been synthesized in powder form by using coprecipitation method at powder-based low temperature are zinc chloride (Sigma Aldrich), manganese (II) chloride tetrahydrate (Sigma Aldrich), and aluminum chloride hexahydrate (Sigma Aldrich). The powder of zinc chloride, aluminum chloride hexahydrate and manganese (II) chloride are dissolved in 0.5 M HCl, then a precipitating agent is added in the form of NaOH 5 M base into the solution by slowly dropping NaOH 5 M solution into the precursor until a pH of 10 is reached which causes the clear and transparent solution turns into milky white. In order for the reaction to run perfectly, the stirring process is carried out in a hot plate stirrer for 90 minutes at a temperature of 85 °C. After the solution is formed, it is washed with distilled water repeatedly until there is no impurities and it is filtered with filter paper to separate the precipitate from the solution. X-ray Diffraction (XRD) and Ultra Violet Visible (UV-VIS) Spectroscopy have been used to characterize ZnO nanopowder products through (Al+Mn) doping. The results show that AlMnZ0, AlMnZ4, AlMnz5 and AlMnZ6 nanopowder has the form of a hexagonal wurtzite crystal phase with a crystal size of ~38.03881-47.57561 nm. The optical band gap of ZnO nanopowder can be increased by atomic doping (Al+Mn). The increase in the optical band gap of AlMnZ0, AlMnZ4, AlMnZ5 and AlMnZ6 nanopowder is related to the Burstein-Moss effect, that is when (Al+Mn) atoms are successfully incorporated into ZnO nanopowders, there is a vacancy of the oxygen atom in the host crystal. [ABSTRACT FROM AUTHOR]

In the current research work "4-{[1-(2,5-dihydroxyphenyl)ethylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" chemosensor (C1) synthesized by condensation reaction using "4-amino-1,2-dihydro-1,5-dimethyl-2-phenylpyrazol-3-one" and "2,5-dihydroxy actophenone" was used as the effective sensor of metal ion. The C1 shows absorption peak at 326 nm due to the C = C bond (π-π* transition), while the absorption peak at 364 nm is caused by the C = O bond (n-π* transition). In the presence of copper, C1 only demonstrated a redshift in absorption peak from 364 to 425 nm. Even in the presence of other competing metal ions, the hypsochromic shift of the absorption band and the quenching of the fluorescence emission intensity were different for detecting Cu2+, in CH3OH-H2O (v/v = 6:4). The capacity of the C1 to bind with Cu2+ was further proved using DFT simulations. The complex C1 + Cu2+ has a HOMO–LUMO energy gap of 2.8002 eV, which is lesser than C1 (2.9991 eV) showing improvement in the stability of the C1 + Cu2+ complex. Using the Benesi-Hildebrand and Scatchard plots, calculated Kb values were to be 47,340 and 48369 M−1 respectively, showing the creation of stable complexation between Cu2+ and C1 with 1:1 stoichiometry. The limit of detection (LOD) for Cu2+ ion was 649 nM. Strip sheets were also built and tested to detect varying amounts of Cu2+ in aqueous solution, and their color change suggested that they might be used for on-site Cu2+ detection in polluted water. [ABSTRACT FROM AUTHOR]

As a layered material with single/multi-atom thickness, two-dimensional transition metal sulfide WS2 has attracted extensive attention in the field of science for its excellent physical, chemical, optical, and electrical properties. The photoelectric properties of WS2 are even more promising than graphene. However, there are many existing preparation methods for WS2, but few reports on its direct growth on tungsten films. Therefore, this paper studies its preparation method and proposes an innovative two-dimensional material preparation method to grow large-sized WS2 with higher quality on metal film. In this experiment, it was found that the reaction temperature could regulate the growth direction of WS2. When the temperature was below 950 °C, the film showed horizontal growth, while when the temperature was above 1000 °C, the film showed vertical growth. At the same time, through Raman and band gap measurements, it is found that the different thicknesses of precursor film will lead to a difference in the number of layers of WS2. The number of layers of WS2 can be controlled by adjusting the thickness of the precursor. [ABSTRACT FROM AUTHOR]

The wave equation revealing the wave propagation in chiral phononic crystals, established through force equilibrium law, conceals the underlying physical information, such as the essence of the motion coupling and the inertial amplification effect. This has led to a controversy over the bandgap mechanism. In this article, we theoretically unveil the reason for this controversy, and put forward an alternative approach from wave behavior to formulate the wave equation, offering an alternative pathway to articulate the bandgap physics directly. Based on the physics revealed by our theory method, we identify the obstacles in coupled acoustic and optic branches to widen and lower the bandgap. Then we introduce an approach based on spherical hinges to decrease the barriers, for customizing the bandgap frequency and width. Finally, we validate our proposal through numerical simulation and experimental demonstration. The wave equation established for chiral phononic crystals based reveals only the coupling of acoustic and optic branches, hiding the complexity of the bandgap physics. The alternative method proposed in this paper allows direct observation of the essential physics, and enables to decouple acoustic and optic branches for the manipulation of band gaps. [ABSTRACT FROM AUTHOR]

The monolithic integration of gallium phosphide (GaP), with its green band gap, high refractive index, large optical non-linearity, and broad transmission range on silicon (Si) substrates, is crucial for Si-based optoelectronics and integrated photonics. However, material mismatches, including thermal expansion mismatch and polar/non-polar interfaces, cause defects such as stacking faults, microtwins, and anti-phase domains in GaP, adversely affecting its electronic properties. Our paper presents a structural and defect analysis using scanning transmission electron microscopy, high-resolution transmission electron microscopy, and scanning nanobeam electron diffraction of epitaxial GaP islands grown on Si nanotips embedded in SiO2. The Si nanotips were fabricated on 200 mm n-type Si (001) wafers using a CMOS-compatible pilot line, and GaP islands were grown selectively on the tips via gas-source molecular-beam epitaxy. Two sets of samples were investigated: GaP islands nucleated on open Si nanotips and islands nucleated within self-organized nanocavities on top of the nanotips. Our results reveal that in both cases, the GaP islands align with the Si lattice without dislocations due to lattice mismatch. Defects in GaP islands are limited to microtwins and stacking faults. When GaP nucleates in the nanocavities, most defects are trapped, resulting in defect-free GaP islands. Our findings demonstrate an effective approach to mitigate defects in epitaxial GaP on Si nanotip wafers fabricated by CMOS-compatible processes. [ABSTRACT FROM AUTHOR]

Context: The key factor in designing heat-resistant energetic materials is their thermal sensitivity. Further research and prediction of thermal sensitivity remains a great challenge for us. This study is based on first-principles calculations and establishes a theoretical model, which comprehensively considers band gap, density of states, and Young's modulus to obtain a empirical parameter Ψ. A quantitative relationship was established between the new parameter and the thermal decomposition temperature. The value of Ψ is calculated for 10 energetic materials and is found to have a strong correlation with the experimental thermal decomposition temperature. This further proves the reliability of our model. Specifically, the larger the value of Ψ, the higher the thermal decomposition temperature, and the more stable the energetic material will be. Therefore, to some extent, we can use the new parameter Ψ calculated by the model to predict thermal sensitivity. Methods: Based on first-principles, this paper used the Cambridge Serial Total Energy Package (CASTEP) module of Materials Studio (MS) for calculations. The Perdew-Burke-Ernzerhof (PBE) functionals in Generalized Gradient Approximation (GGA) method as well as the Grimme dispersion correction was used in this paper. [ABSTRACT FROM AUTHOR]

Seismic surface waves carry significant energy that poses a major threat to structures and may trigger damage to buildings. To address this issue, the implementation of periodic barriers around structures has proven effective in attenuating seismic waves and minimizing structural dynamic response. This paper introduces a framework for seismic surface wave barriers designed to generate multiple ultra-low-frequency band gaps. The framework employs the finite-element method to compute the frequency band gap of the barrier, enabling a deeper understanding of the generation mechanism of the frequency band gap based on vibrational modes. Subsequently, the transmission rates of elastic waves through a ten-period barrier were evaluated through frequency–domain analysis. The attentional effects of the barriers were investigated by the time history analysis using site seismic waves. Moreover, the influence of the soil damping and material damping are separately discussed, further enhancing the assessment. The results demonstrate the present barrier can generate low-frequency band gaps and effectively attenuate seismic surface waves. These band gaps cover the primary frequencies of seismic surface waves, showing notable attenuation capabilities. In addition, the soil damping significantly contributes to the attenuation of seismic surface waves, resulting in an attenuation rate of 50%. There is promising potential for the application of this novel isolation technology in seismic engineering practice. [ABSTRACT FROM AUTHOR]

With the development of virtual reality, the projection design of the head-mounted display (HMD) requires improvement as well. The surface relief grating (SRG) is one of the popular diffraction elements to achieve light guiding through the waveguide. Using the SRG as the coupler, incoming information light can be coupled into the waveguide by the 1-order diffraction. To increase possible design options for the HMD, SRG with complex geometry has been designed to fit more diffraction conditions. In this paper, a 2D SRG is proposed to form by periodically arranging slanted glass pillars on the surface of a glass waveguide, just like a photonic crystal. The structure can suppress all the other diffraction orders except the 0-order and the [1, 0] order. The best diffraction efficiency of the [1, 0] order can be obtained when the incident light is incident with not only an incident angle but also an azimuth angle. The geometric parameters of the pillars are investigated and optimized with the diffraction efficiency by the finite element method, and the relationship between the incident angles and the diffraction efficiency will also be discussed. The proposed structure has the potential in both the in-coupler and the out-coupler, respectively, for integrating light coming from different azimuth angles or for outputting light to different azimuth angles. [ABSTRACT FROM AUTHOR]

In this paper, a modified Josephson junction model is proposed, which splits the two-dimensional electron gas by inserting a middle superconductor strip into a conventional Josephson junction. This modification enhances the superconducting proximity effect, thus avoiding the appearance of a soft gap and inducing a stable Majorana zero-energy mode. Through numerical simulation, the impact of the middle superconductor strip with different widths on the energy band structure is studied, and a significant increase in the topological energy gap is found. In addition, the modified system maintains a robust topological gap even at a strong in-plane magnetic field. [ABSTRACT FROM AUTHOR]

Due to a wide band gap and large exciton binding energy, zinc oxide (ZnO) is currently receiving much attention in various areas, and can be prepared in various forms including nanorods, nanowires, nanoflowers, and so on. The reliability of ZnO produced by a single dopant is unstable, which in turn promotes the development of co-doping techniques. Co-doping is a very promising technique to effectively modulate the optical, electrical, magnetic, and photocatalytic properties of ZnO, as well as the ability to form various structures. In this paper, the important advances in co-doped ZnO nanomaterials are summarized, as well as the preparation of co-doped ZnO nanomaterials by using different methods, including hydrothermal, solvothermal, sol-gel, and acoustic chemistry. In addition, the wide range of applications of co-doped ZnO nanomaterials in photocatalysis, solar cells, gas sensors, and biomedicine are discussed. Finally, the challenges and future prospects in the field of co-doped ZnO nanomaterials are also elucidated. [ABSTRACT FROM AUTHOR]

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