This experiment used fly ash as the raw material and hydrogen peroxide as the foaming agent to prepare fly ash-based polymer lightweight thermal insulation materials. Through single-factor and orthogonal experiments, the effects of activator modulus, liquid-solid ratio, foaming agent dosage, mixing time, and mixing speed on the major performance indicators of lightweight insulation materials, such as compressive strength, apparent density, and thermal conductivity, were explored. The results showed that with the increase of foaming agent dosage and activator modulus, the apparent density, compressive strength, and thermal conductivity of the lightweight insulating material gradually decreased, while they increased with the improvement of mixing speed and time. The order of influence was mixing time > mixing speed > activator modulus. Under the optimal preparation conditions of activator modulus 1.4, mixing speed 600 r/min, mixing time 7 min, liquid-solid ratio 0.45, and foaming agent dosage 7%, adding 1% polypropylene fibers to optimize compressive strength resulted in a final material with apparent density of 0.18 g/cm3, compressive strength of 0.35 MPa (28 d), and thermal conductivity of 0.050 W/(m·K), meeting the Type I standard (cement-based foam insulation board GB/T 2200-2013) for building exterior wall lightweight insulation materials. This study provides theoretical support for the high-value utilization of fly ash in preparing lightweight insulating materials.
In this paper, nanocrystalline Ni51Ti46V1Nb2 (at.%) alloy wire was prepared through the processes of smelting, forging, wire drawing and annealing. The microstructure of the sample was observed by transmission electron microscopy (TEM). The thermally induced transformation behavior of the sample was characterized by in situ wide angle X-ray diffraction (WAXRD), differential scanning calorimetry (DSC) and electrical resistance testing instrument. The superelastic behavior of the sample at different temperatures was tested by a universal tensile machine. Results show that the average grain size of the wire sample is 46 nm, and the B2 structure remains unchanged during the cooling processes. The sample exhibits superelasticity within the temperature range of 143-323 K. The temperature dependence of the critical transformation stress is the range of 2.2-5.0 MPa/K, and the low-temperature superelastic recovery rate is close to 100%. The critical transformation stress and stress hysteresis of the sample decrease slightly with the increase of the number of loading and unloading cycles at room temperature, and the decrease range is related to the cyclic strain amount.
In order to address the key problem of insufficient interfacial wettability between PTPD and the perovskite absorption layer, sulfonated PTPD (S-PTPD) was successfully prepared through sulfonation modification of concentrated sulfuric acid in this paper. The comprehensive investigation was conducted using XRD, UV-Vis, PL, SEM, contact angle measurements, and J-V characterization to elucidate the influence of S-PTPD on both the perovskite layer and the photoelectric performance of PSCs. The results showed that the contact angle of perovskite precursor solution on S-PTPD decreased significantly from 48.5° to 44.1°, indicating markedly improved wettability. It was conducive not only to improving the crystallization quality of the perovskite films, but also to enhancing hole extraction efficiency and reducing non-radiative recombination at the perovskite/HTL interface. In addition, the champion device based on S-PTPD achieved a superior power conversion efficiency (PCE) of 21.9% with an improved fill factor (FF) of 84.4%. Furthermore, stability tests showed that the S-PTPD devices maintained 95.3% of the initial efficiency under nitrogen atmosphere, demonstrating excellent long-term operational stability.
This study designed and fabricated light-responsive polymeric drug-loaded micelles for photo-controlled drug release. By adjusting the molar ratios of carboxylated spiropyran to ε-polylysine, three amphiphilic SP-grafted PLL polymers with varying grafting degrees (22%, 43%, and 61%) were synthesized and self-assembled into micelles. The critical micelle concentration was determined to be about 0.25 mg/mL. Micelle size exhibited a positive correlation with grafting degree and initial polymer concentration. Increasing the grafting degree from 22% to 61% enlarged the hydrodynamic diameter from 165 nm to 293 nm, while raising the initial concentration of 61%-grafted polymer from 1 mg/mL to 10 mg/mL further expanded the size to 691 nm. All micelles demonstrated high stability and effectively encapsulated hydrophobic tetracycline (TC). Under UV irradiation (365 nm, 6 h), all three micellar systems achieved over 70% cumulative TC release, highlighting their robust photo-triggered release capability. It is because the hydrophobic closed-loop spiropyran transforms into a hydrophilic open-loop cyanine structure under the UV light, breaking the original micelle equilibrium and promoting drug release. This work provides a promising strategy for developing stable, tunable, and light-responsive nanocarriers for targeted drug delivery.
Addressing the challenge of balancing flame retardancy and mechanical properties in carbon fiber reinforced epoxy resin composites, this study utilized a combination of the reactive flame retardant dicyandiamide modified by 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO-DICY) and the additive flame retardant dimethyl methylphosphonate (DMMP) to fabricate a series of flame-retardant carbon fiber/epoxy resin composites. The effects of the blending ratio of these flame retardants on the composite properties were systematically investigated through vertical burning tests, dynamic mechanical analysis, thermogravimetric analysis, and mechanical property testing. The results demonstrate that when the DMMP content was 12 phr and the DOPO-DICY content was 15 phr, a significant synergistic effect between DOPO-DICY and DMMP substantially enhanced the compactness and thermal stability of the char layer. This effectively suppressed the wick effect and enabled the composite to achieve the UL94 V-0 fire rating. Furthermore, the mechanical property was excellent at this formulation. The flexural strength and interlaminar shear strength were 527 MPa and 35 MPa, respectively, exhibiting decreases of only 7% and 17% compared to the unmodified composite.
As a green and efficient advanced oxidation technology, photocatalysis has been extensively studied in the degradation of organic pollutants. However, the rapid recombination of photogenerated carriers in most photocatalytic materials limits their catalytic performance. To enhance catalytic efficiency, the piezoelectric properties of materials have attracted increasing attention. Bismuth(Bi)-based materials, as a novel type of semiconductor catalysts, exhibit both photocatalytic and piezoelectric catalytic activities, enabling the coupling of solar and mechanical energy to promote the degradation of organic pollutants. Nevertheless, there remain significant gaps in the design and application of Bi-based piezoelectric-photocatalytic materials. This article reviews the composition of piezo-photocatalytic systems and the fundamental mechanisms for improving catalytic performance, while exploring strategies to enhance the properties of Bi-based piezoelectric-photocatalytic materials, e.g., elemental doping, morphology control, and heterojunction construction. In light of current challenges and future prospects in piezo-photocatalytic technology, the potential applications of Bi-based photocatalytic materials in environmental and energy fields are also discussed.
The nanomaterials in the magnesium phosphate cementitious materials (MPC) not only endows MPC with superior physical and mechanical properties and long-term performance, enabling it to achieve large-scale applications in rapid repair and protection of concrete structures, as well as anti-corrosion and fire prevention of steel structures, but also endows MPC with excellent electromagnetic properties, expanding its research and application to electromagnetic wave absorption and shielding, thermoelectric and energy storage fields. However, the addition of nanomaterials to MPC also makes its preparation process more complex, and the performance advantages of MPC are not fully utilized when using nanomaterials to prepare MPC functional materials, resulting in the failure of nanomaterials to effectively exert their effects. To promote the functional application of nanomaterials in MPC, the system summarized the effects of nanomaterials in MPC, including filling effect, activity effect, nucleation effect, and electromagnetic effect. The mechanism of nanomaterials affecting the rheological properties, coagulation hardening characteristics, mechanical properties, durability, and electromagnetic properties of MPC and the existing research problems were analyzed. Suggestions for improving the effects of nanomaterials in MPC were proposed, hoping to provide reference for promoting the application of nanomaterials in MPC and the preparation of MPC electromagnetic functional materials.
Polyethylene glycol (PEG) demonstrates significant potential for thermal energy storage and temperature regulation due to its tunable phase-change enthalpy across wide temperature ranges, excellent biocompatibility, and exceptional chemical tailorability. This review systematically examines the fundamental properties of PEG-based phase change materials (PCMs), at the same time, various preparation methods of PEG-based PCMs are introduced, such as physical blending, porous material adsorption, microencapsulation, electrospinning, and chemical modification. These methods effectively solve the leakage issues, low enthalpy values, and thermal instability of conventional PCMs during phase transitions. In terms of application, it focuses on exploring the actual progress in building energy conservation, thermal management, and cold chain transportation, and analyzes their performance advantages and limitations in different scenarios. Finally, the challenges still faced by PEG based phase change materials are analyzed, and it is pointed out that future research directions should break through the limitations of single field applications and focus on optimizing structural design and multifunctional integrated PCMs.
Carbon fiber composites have been widely used in aviation, aerospace, rail transit, ships, wind power and other fields for their excellent specific, high temperature resistance, fatigue resistance and long cyclic life. In aerospace vehicles, in order to ensure the reliable operation of key components in complex working environment and achieve the functions, such as stealth, drag reduction, protection and so on, it is usually necessary to coat the surface of composite components with functional coatings, such as radar stealth coatings, infrared stealth coat and high temperature protective coatings. The thickness of functional coating directly affects its performance, and different from traditional metal/non-metal component surface coatings, the special physical properties of carbon fiber composites make it difficult to measure the thickness of their coatings. In this paper, the development status of current surface coating thickness measurement technology of carbon fiber composites is systematically reviewed. The basic principle, applicable scope, measuring accuracy and application advantages and limitations on carbon fiber composites are focused. The development direction of thickness measurement of surface coating of carbon fiber composites is further discussed, aiming to provide support for inspection and process optimization of functional coatings in the field of aviation, aerospace, rail transit and so on.
With the accelerated transformation of the global energy structure, the development of energy storage technologies that are highly safe, low-cost and sustainable has become an urgent need. Sodium-ion batteries are regarded as important candidates for the next-generation energy storage system due to their advantages such as abundant sodium resources, low cost and wide temperature range adaptability. However, they still face bottlenecks such as low volumetric energy density, insufficient cycle life and sodium dendrite growth. Thin-film solid electrolytes, by replacing liquid electrolytes, can significantly enhance battery safety, inhibit dendrite growth and increase energy density, thus becoming a key path to solve the above problems. This paper systematically reviews the latest research progress of thin-film solid electrolytes in sodium-ion solid-state batteries. Starting from the ion transport mechanism, it comparatively analyzes the differences between solid electrolytes and traditional liquid systems. The characteristics of sodium ions, interface compatibility and key challenges in material design are deeply discussed. The performance optimization strategies of oxides, sulfides, halides and organic-inorganic composite electrolytes are classified and reviewed. The research results show that NASICON-type oxide electrolytes can significantly increase the ionic conductivity, up to 5.27 mS/cm, through element doping. Sulfide electrolytes, such as Na3PS4, exhibit high room-temperature ionic conductivity of 32 mS/cm, and organic-inorganic composites have the advantages of both flexibility and low cost. However, the practical application of thin-film solid electrolytes is still limited by challenges such as low ion migration rate, high interface impedance and complex preparation process. In the future, it is necessary to promote the commercial application of thin-film solid electrolytes in sodium-ion batteries through element doping, interface engineering, the development of new materials, such as metal-glass type and carbon-based materials, and the optimization of large-scale preparation processes, providing important support for achieving efficient, safe and sustainable energy storage technologies.
With the development of flexible electronic technology, the development of high-performance flexible sensing materials has become a research hotspot. Graphene aerogel can not only be used as conductive matrix, but also provide an ideal loading platform for functional nanomaterials due to its unique conductive network structure, excellent mechanical flexibility and adjustable porosity. Based on this, this study constructed a silver nanoparticle/graphene composite aerogel sensing material. Firstly, silver nanoparticles (AgNPs) were prepared by chemical reduction method, and then patterned graphene aerogels were prepared by modified Hummers method combined with direct ink writing technology. Finally, AgNPs were uniformly loaded by impregnation method. The experimental results show that when the concentration of AgNPs is 15 mg/mL, the composite material exhibits excellent comprehensive performance. The sensitivity coefficient (GF) reaches 0.84, which is 64.7% higher than that of pure graphene aerogel. At the same time, it has comparatively fast response, 0.8 s for compression and 0.6 s for release, and good cycle stability with very low attenuation rate after 30 cycles. This study provides a new idea for the performance optimization of flexible materials.
In view of the narrow range of decolorization of dye wastewater by Ti0.87O0.52-2 nanosheets with negatively charged surfaces, this paper innovatively adopts poly dimethyl diallyl ammonium chloride (PDDA) for modification treatment to prepare an efficient adsorbent for anionic dye methyl orange (MO), 2 wt% PDDA/Ti0.87O0.52-2. By adjusting pH, time, concentration, adsorbent dosage, temperature and other conditions, the adsorption performance of MO is investigated. Experimental results show that when the temperature is 25 ℃, the initial dye concentration is 25 mg/L, the pH value is 6, the adsorption time is 30 min and the adsorbent dosage is 5 mg, the adsorption amount of MO by 2 wt% PDDA/Ti0.87O0.52-2 can reach 233.12 mg/g, and the removal rate can reach 93.25%. Moreover, in the presence of interfering ions Cl- and SO2-4, its selective adsorption still maintains good stability. Thermodynamic analysis indicates that the adsorption process of MO by 2 wt% PDDA/Ti0.87O0.52-2 is spontaneous. This paper's modification treatment with poly dimethyl diallyl ammonium chloride (PDDA) can provide beneficial methods and conditions for preparing efficient Ti0.87O0.52-2 nanosheet-based adsorbents.
Liquid metals (LM) exhibit exceptional thermal conductivity, electrical conductivity, fluidity, deformability, and significant latent heat of phase change, which positions them as promising candidates in the field of phase change thermal management. However, their strong corrosiveness and poor compatibility with load-bearing materials always lead to leakage and subsequent failure of electronic components, thereby limiting their practical applications. This study utilizes silicon carbide nanowire-modified high thermal conductivity foam graphite (SiCNWs-GF) as a substrate, into which a gallium-tin alloy (GaSn) is incorporated through vacuum impregnation to create a high thermal conductivity phase change composite material. The thermal management characteristics of this composite are investigated. The modified foam graphite demonstrates good compatibility with the liquid metal, and its capillary structure effectively enhances the leakage resistance of the liquid metal. When subjected to a power load of 200 W for 200 s, the surface temperature of the heat sink containing the liquid metal/foam graphite composite is recorded at 34.1 ℃. In contrast, the surface temperature of a heat sink filled with paraffin/foam graphite composite under the same conditions reaches 49.4 ℃. This comparison indicates that the use of the liquid metal/foam graphite phase change composite results in a temperature reduction of 15.3 ℃, thereby demonstrating its superior thermal management properties.
Mixed matrix membranes (MMMs), as an energy-efficient and operationally simple gas separation technology, combine the advantages of polymer processability with the high specific surface area and porosity of fillers, demonstrating broad application prospects in gas separation. However, challenges such as poor filler dispersion and interfacial incompatibility significantly limit their practical implementation. In this study, leveraging the facile functionalization of covalent organic frameworks (COFs), a large-pore fluorinated COF (TAPB-TFTA) was synthesized via an acetonitrile-assisted standing method and subsequently incorporated into a 6FDA-ODA polymer matrix to fabricate four MMMs with varying filler loadings (0-5wt%). The structural and thermal properties of the matrix, filler, and resultant MMMs were systematically characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). The mixed matrix membranes have good thermal properties (Tg>299 ℃ and Td>369 ℃). At an optimal COF loading of 5wt%, the CO2 and O2 permeabilities of the MMM increases to 220% and 243% of the pristine membrane, respectively, while the ideal selectivities for CO2/N2 and O2/N2 reach 159% and 176% of the pure polymer. Notably, the O2/N2 selectivity surpasses the 1991 Robeson upper bound and approaches the 2008 Robeson upper bound, highlighting its potential for advanced gas separation applications.
In this study, commercial corn stover biochar (CSBC) was used as a precursor for KOH and KMnO4 modification, and the adsorption capacity of methylene blue (MB) was used as the criterion. The optimized process conditions were determined through orthogonal and single factor experiments to produce HCSBC and MCSBC. Moreover, characterization analysis of CSBC, HCSBC and MCSBC revealed that KOH and KMnO4 modification improved the physical and chemical properties of CSBC. The specific surface area, pore volume, and pore size of HCSBC and MCSBC were higher than those of CSBC, indicating that potassium hydroxide and potassium permanganate modification promoted the formation of mesopores. Combining XRD and FTIR spectra, both HCSBC and MCSBC contained diffraction peaks of K crystals, and there were characteristic peaks related to manganese oxide on MCSBC, indicating successful loading of K and Mn on CSBC. On SEM-EDS, it was evident that the pores of HCSBC and MCSBC were more abundant and regular. Moreover, the surface of MCSBC contained manganese particles. According to XPS analysis, HCSBC and MCSBC exhibited characteristic peaks of C=O/M-O (M: metal). At the same time, it was found that MCSBC contained Mn elements and included divalent, trivalent, and tetravalent elements, with the highest proportion of divalent manganese.
Structural defects such as phase separation caused by halogen ion migration make the luminescence performance and stability of blue light perovskite quantum dots need to be improved, which hinders their commercial application, so the preparation of efficient blue light perovskite quantum dots is of great significance for achieving full-color display. In this paper, the single-peak blue emission PDCP-QDs were obtained by passivating MAPbBr3 quantum dots (QDs) by using the small molecule ligand phenyl dichloride phosphate (PDCP). The mechanism of PDCP passivation of quantum dots was analyzed by XRD patterns, FT-IR spectra, TEM images, XPS spectra, and PL spectra of PDCP-QDs. The results show that the phosphoryl chloride group in the small molecule ligand can adjust the emission wavelength of quantum dots, improve the luminescence performance and fluorescence quantum lifetime of quantum dots, obtain exciton binding energy of up to 569.304 meV, effectively passivate quantum dot defects, and reduce the lead toxicity of materials.
Co-doped NiO thin films were prepared by hydrothermal method. Field emission scanning electron microscopy (FE-SEM) and energy scattering spectroscopy (EDS) were used to characterize the NiO thin films morphology and composition. The electrical and optical properties of the NiO thin films were tested using an electrochemical workstation and a UV-visible spectrophotometer. The results show that the surface of the doped thin film consists of staggered nanoflakes grown perpendicularly to the substrate, resulting in the formation of many pores. The cross-section image is more regular. The charge capacity of the Co-doped thin film increases from 14.26 C to 17.82 C. After 100 CV cycles, performance attenuation is less than that of undoped thin film. The bleaching time is shortened from 5.85 s to 4.38 s, showing a faster response time. The Co-doped NiO thin film possesses an optical modulation of 55.22%, an optical density change of 0.44, and a chromogenic efficiency of 12.56 cm2/C, all of which are improved compared to the undoped thin film.
Surface modification of basalt fibers (BF) was carried out using polyurethane (PU) solution, and BF reinforced iron tailings manufactured sand concrete was prepared with the modified BF as the reinforcing phase. The study investigated the effects of polyurethane (PU) modification on the phase structure and mechanical properties of basalt fiber (BF), as well as the influence of the dosage of modified BF on the failure patterns, mechanical properties, pore size distribution, drying shrinkage performance, and anti erosion performance of iron ore tailings manufactured-sand concrete. The results showed that PU modification didn’t damage the silica skeleton structure of BF, but introduced a large number of polar groups, which synergistically enhanced the bonding strength between BF and cement matrix through chemical bonding and mechanical anchoring. After treatment with a 2%PU solution, the surface roughness of BF increased, and the tensile strength of BF reached its maximum value of 82.3 MPa. When the content of BF modified with PU was 5 wt%, the optimal content threshold was reached. The compressive strength and flexural strength of the 5%BF sample reached their maximum values, which were 45.1 and 5.34 MPa, respectively. And the 5%BF sample achieved the optimal mechanical response, with a peak stress of 68.2 MPa and a peak strain of 3.14%. The optimization of concrete pore size distribution with 5%BF content was the most balanced. The proportion of micro pores in the 5%BF sample was the maximum value of 60.14%, the proportion of harmful pores was the lowest value of 19.68%, and the minimum shrinkage rate of the 5%BF sample was 1.091%. When subjected to 100 cycles of dry wet cycles in a composite salt solution, the maximum relative dynamic elastic modulus of the 5%BF sample was 60.2%, and the minimum mass loss rate was 5.08%. It had the best anti erosion performance and significant advantages in marine engineering structures and road construction applications in saline soil areas.
To improve the flame retardancy of wood-plastic composites (WPCs), camphorwood flour was first modified with polyethyleneimine (PEI) through solution impregnation and then encapsulated with silica via a sol-gel method to prepare PEI-SiO2@AWF. This modified filler was subsequently melt-blended with piperazine pyrophosphate (PAPP), melamine phosphate (MPP) and polypropylene (PP) to fabricate intumescent flame-retardant WPCs. The flame retardant properties and mechanisms were comprehensively investigated using limiting oxygen index (LOI), vertical burning (UL-94), thermogravimetric analysis (TGA), cone calorimetry and Raman spectroscopy. Results showed that WPC-4, containing 27 wt% PAPP/MPP and 38 wt% PEI-SiO2@AWF, achieved an LOI value of 36.8%, reached UL-94 V-0 rating, and exhibited a char residue of 25.75% at 800°C. Compared with the pristine WPC and WPC-2 (with 3 wt% direct SiO2 addition), WPC-4 demonstrated significant reductions in peak heat release rate by 71.47% and 63.42%, and total smoke production by 42.43% and 63.90%, respectively. Raman spectroscopy and SEM analysis of the residual char confirmed that WPC-4 formed the most highly graphitized carbon layer, which contributed substantially to its superior flame retardant performance.
Functional filler was prepared by loading adhesive polydopamine (PDA) in situ onto boron nitride nanosheets (BNNS), followed by the attachment of barium titanate (BT) and BT@polyaniline (BT@PANI) core–shell compound particles. The effects of the mass ratio of BNNS@PDA, BT, to BT@PANI on the loading content and the distribution of BT/BT@PANI particles on the BNNS surface, as well as on the dielectric properties of the polyvinylidene fluoride(PVDF)-based composites, were investigated. The results show that when the mass ratio of BNNS@PDA, BT to BT@PANI is 5∶3∶2, the conducting BT@PANI core–shell particles achieved a uniformly dispersed distribution on the BNNS@PDA surface. Under these conditions, the composite film with 8wt% filler loading exhibited both the highest dielectric constant and the lowest dielectric loss, which were 8.06 and 0.019 (103 Hz), respectively. Meanwhile, high breakdown strength of 135.6 kV/mm was accompanied. This study demonstrates that based on insulating nanosheets, the optimization of dielectric performance for the composite dielectrics can be achieved through structural regulation of the multi-component functional fillers. This work provides a new conceptual and experimental basis for the design of such functional fillers.
P2W17@SiO2 non-homogeneous phase catalysts were prepared by covalently bonding epoxy group-modified deficient Dawson type phosphotungstic acid (EPO-P2W17) to amino-modified SiO2 (NH2-SiO2) surface. The catalysts were characterized using Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (PXRD), ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis DRS), scanning electron microscopy (SEM), X-ray energy spectrometry (EDX), and X-ray photoelectron spectroscopy (XPS) as analytical tools. The catalytic hydrogen peroxide (H2O2) oxidation of iodide ion (I-) performance of this catalyst was explored, and the results showed that at pH=1.0, c(I-) =2.5×10-3 mol/L, c(H2O2)=2.0×10-3 mol/L, and the optimum temperature T=55 ℃, P2W17@SiO2 achieved reaction rate of catalyzed oxidation of iodide ions v=3.67×10-6 mol/(L·s) and maintained good catalytic activity and stability after 10 cycles.
Agricultural and forestry waste-based adsorbents have attracted significant attention due to their easy preparation, abundant raw materials, and environmental sustainability. Peanut shells are a kind of effective organic dye adsorbents. However, their widespread application has been limited by poor adsorption selectivity, low adsorption capacity, and difficult recycling. A peanut shell-based amphoteric adsorbent was developed through Tempo-mediated carboxylation modification followed by amino group introduction via esterification reactions using epichlorohydrin and ethylenediamine. The prepared amphoteric adsorbent demonstrated simultaneous adsorption capacity for both Congo red and methylene blue dyes, achieving maximum adsorption capacities of 132.2 and 62.4 mg/g, respectively. After six times adsorption-desorption cycles, the removal efficiencies remained at 77.63% for Congo red and 88.16% for methylene blue, indicating excellent recyclability. The simultaneous removal of cation and anion dyes in wastewater systems was enabled by the prepared peanut shell-based amphoteric adsorbent. The practical application prospects of amphoteric adsorbents in environmental remediation were expanded significantly.
Two-dimensional (2D) materials have garnered significant attention in photocatalysis and energy-related fields due to their unique physicochemical properties. However, the g-C3N4/h-BN heterojunction suffers from challenges such as high recombination rates of photogenerated carriers and low electron transport efficiency. In this study, based on density functional theory (DFT), we systematically investigate the electronic structure modulation mechanisms and strategies for enhancing photocatalytic performance by introducing boron (B) atom doping or vacancy defects into the heterostructure. Three stacking configurations are constructed, revealing that the AA-stacked heterostructure exhibits optimal stability, with interfacial bonding dominated by van der Waals interactions. Our results demonstrate that vacancy defects reduce the bandgap of the heterojunction from 1.727 eV to 0.326 eV and broaden the light absorption range, but simultaneously degrade catalytic activity due to atomic lattice distortion. In contrast, B doping forms B-C covalent bonds, reducing the bandgap to 1.474 eV, promoting uniform charge distribution, and enhancing carrier separation efficiency through the participation of p-orbital electrons in charge transfer. Optical analysis indicates that vacancy modification extends the optical response range but may increase carrier recombination, whereas B doping optimizes electronic structures and strengthens chemical bonding, thereby improving both light absorption and stability. This work elucidates the atomic-scale regulation of band structures and interfacial charge dynamics in 2D heterostructures, providing theoretical guidance for designing high-efficiency photocatalytic materials.
In this work, the electronic structures and optical properties of β-Ga2O3 systems with different numbers of Cr atoms doping, β-Ga2O3 with O vacancies introduced, β-Ga2O3 co-doped with O vacancies and Cr, and β-Ga2O3 co-doped with interstitial H and Cr were investigated by means of first-principles calculations based on the generalized gradient approximation (GGA). The results show that after Cr doping, the band gap of β-Ga2O3 decreases, the photoconductivity increases significantly, and the absorption spectrum exhibits a red shift. The vacancy system can further increase the static dielectric constant of the β-Ga2O3 model. Compared with the single vacancy system, the coexisting system of doping and vacancies can enhance the photoconductivity and absorption rate of β-Ga2O3 in the visible light range. Through the calculation of the electric dipole moment, it is concluded that the introduction of O vacancies can improve the activity of charge carriers.
To investigate the effects of different warm-mix agents on porous asphalt mixtures in cold regions, this study selected two types of warm-mix additives, organic viscosity-reducing SMC (S-type) and chemical additive LKW (L-type). Through variable temperature compaction, dynamic modulus, rutting tests, and other experiments, the temperature reduction effect, dynamic mechanical properties, and road performance of porous asphalt mixtures with varying dosages of these agents were comparatively analyzed. The results showed that the S-type warm-mix agent significantly improved the low-temperature performance and construction workability of asphalt mixtures but slightly reduced water stability and scattering resistance. In contrast, the L-type warm-mix agent exhibited a milder impact, primarily enhancing high-temperature performance while moderately optimizing other properties. Considering the critical requirement for low-temperature performance in cold environments, where demands for other properties are relatively secondary, the S-type warm-mix agent is recommended for application in cold regions. This recommendation prioritizes its superior low-temperature adaptability and construction advantages while acknowledging its acceptable trade-offs in water stability and scattering resistance.
Wave-transparent electrothermal materials combine electric heating and wave-transparent properties, promising in aerospace, communication and transportation. Carbon-based films are currently the primary type of wave-transparent electrothermal materials, however, a common issue is the strong correlation between wave transparency and electrothermal properties, making it difficult to optimize the both properties simultaneously. In this paper, simulation models of wave-transparent electrothermal materials are established, including periodic hollow patterns to enhance wave transmission. The periodic patterns are optimized by numerical simulation methods, and thus wave transmittance is improved while ensuring the uniformity of electric heating temperature. The key geometric parameters of periodic patterns and the optimal structures of the periodic pattern unit are determined by parametric scanning. This work increases the broadband transmittance of carbon-based wave-transparent electrothermal materials to over 80%, meanwhile achieving uniform electric heating with a temperature difference of <±2 ℃, providing a design scheme and theoretical foundation for the performance optimization of wave-transparent electrothermal materials.
Heavy concrete, radiation-proof concrete, relies on increasing its apparent density (≥2 800 kg/m3) to achieve α, β, γ and x ray shielding functions. In this paper, magnetite was used as aggregate to prepare magnetite heavy concrete. The effects of water-cement ratio, sand ratio and water reducing agent content on apparent density and compressive strength were studied. The quadratic polynomial regression model was established by response surface method, and the interaction mechanism between various factors was revealed to optimize the apparent density and compressive strength of heavy concrete. The results show that the apparent density is mainly affected by the sand ratio. With the increase of water-cement ratio and sand ratio, the apparent density of heavy concrete gradually decreases, with a decrease of 4.3% and 5.4%, respectively. With the increase of superplasticizer content, the apparent density gradually increases, with an increase of 3.2%. The compressive strength decreases with the increase of water cement ratio, and the decrease is 17.65%. The influence of sand ratio and water reducing agent content on compressive strength increases first and then decreases. When the sand ratio is in the range of 32%-38% and the water reducing agent content is in the range of 0.7%-1.7%, the compressive strength gradually increases, and the maximum reaches 37.27 MPa. After optimization, the optimal performance parameters are obtained: water-cement ratio 0.473, sand ratio 34.684%, water reducing agent content 1.612%. The relative errors between the predicted value and the experimental value are less than 5%, which proves that the response surface method has significant advantages in the apparent density and strength requirements of counterweight concrete. This study provides a theoretical basis and reference for the preparation of heavy concrete.
In this paper, wheat straw cellulose (WSC) was prepared by the alkali treatment method. Using it as the green reinforcing phase and functional monomer, wheat straw modified acrylamid-based composite super absorbent resin was prepared by the aqueous solution polymerization method. The regulation mechanism of the microstructure, thermal stability, mechanical properties and liquid absorption behavior of WSC proportion composite materials was systematically studied. Based on the comprehensive characterization results of XRD, FT-IR, SEM, BET, TGA and mechanical property tests, it was found that the introduction of WSC effectively grafted copolymerized with the polymer matrix, forming a highly amorphous three-dimensional porous network structure with pore sizes of 1-3 μm. The 15%WSC sample demonstrated outstanding comprehensive performance. Its T5% was at 248 ℃, with a carbon residue rate of 41.08% at 800 ℃, tensile strength of 90.1 MPa, Young’s modulus of 1 225 MPa, and elongation at break of 8.0%. It had the best thermal stability and mechanical properties. The equilibrium absorbance ratio of this sample in deionized water was as high as 822 g/g, and it demonstrated excellent stability and adaptability in a wide temperature range (25-65 ℃) and a wide pH range (2-12). This research provides a solid theoretical basis and practical solution for the development of high-performance and environmentally friendly biomass-based superabsorbent materials.