30 May 2024, Volume 55 Issue 5

    

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Focuses & Concerns
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  Preparation of 1-3 piezoelectric composites based on PMNT ceramics by soft mold method and research of ultrasound transducer

  SUN Ruiyu, LI Xiaobing, YANG Zhaoping, CHEN Xingfei, SUN Fenglong, CHEN Jianwei, XIA Ziyi, ZHOU Changjiang

  Journal of Functional Materials. 2024, 55(5): 5001-5006. https://doi.org/10.3969/j.issn.1001-9731.2024.05.001

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  Medical high-frequency ultrasonic transducers are widely used in fine structure imaging of human body and biological tissues. The 1-3 piezoelectric composite material has become the core material of high frequency ultrasonic transducer because of its high electromechanical coupling coefficient and low acoustic impedance. In this paper, high-performance Pb(Mg_1/3Nb_2/3)O₃-PbTiO₃ ceramic/epoxy piezoelectric composites were designed and prepared based on finite element calculation and soft template method, and the electrical properties of the materials were systematically tested. The results show that the 1-3 piezoelectric composite material has excellent acoustic comprehensive performance. The electromechanical coupling coefficient kt of the thickness expansion mode reaches 70.1%, and the acoustic impedance Za reaches 19.05 MRayl. A high-frequency ultrasonic transducer was fabricated using this material, with a-6 dB bandwidth of 85% and an insertion loss of 17.7 dB. The results show that the piezoelectric composites prepared by the soft template method have excellent comprehensive properties suitable for ultrasonic imaging, which is expected to promote the commercial application of high-frequency ultrasonic transducers.
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  Heat transfer mechanism and microstructure analysis of rubber-recycled aggregate insulated concrete

  TU Yanping, XIE Junjie, CHENG Shukai, CHEN Guofu, BAI Dengxian, DENG Li

  Journal of Functional Materials. 2024, 55(5): 5007-5013. https://doi.org/10.3969/j.issn.1001-9731.2024.05.002

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  Rubber insulated concrete (IRC) was prepared by using rubber particles (RP) and recycled aggregate (RA) as insulating lightweight aggregate and adding nano-silica (NS) as auxiliary cementitious material. The thermal conductivity and heat transfer mechanism of IRC were investigated through environmental simulation tests under natural and simulated light, and combined with the indexes of material density, water absorption, thermal conductivity, and microscopic pore structure. The results showed that the addition of RP introduced a large number of pores, and the density, water absorption and pore volume gradually increased, forming a porous structure and improving the thermal insulation performance of IRC. When the RP content is 20%, the thermal conductivity of concrete is 1.01 W/(m·K). The addition of NS optimized the microporous structure of IRC, refined the pore size, and disrupted the connected heat flow channels, which further improved the thermal insulation performance of IRC. The thermal conductivity is further reduced by 7.8%-9.4% with 3% NS.
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  Dual-mode luminescence and light intensity modulation of Ho³⁺ and Yb³⁺ doped calcium stannate ceramics

  CHEN Hao, XI Zengzhe, ZHANG Xiaoli, LONG Wei, DU Jintao, DING Lilei

  Journal of Functional Materials. 2024, 55(5): 5014-5019. https://doi.org/10.3969/j.issn.1001-9731.2024.05.003

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  Rare earth ion-doped inorganic photochromic materials can be applied in the field of optical information storage by coupling photochromism with photoluminescence intensity modulation. The development of materials with dual-mode luminescence modulation properties using a multiphoton absorption strategy is an effective means to enhance the lifetime of optical information storage. In this study, ceramics with dual-mode luminescence and light intensity modulation properties were prepared by selecting Ho³⁺ and Yb³⁺ co-doping with calcium stannate as the host. The ceramic produces intense green and red emission in the visible region under 461 nm blue light excitation. Under the excitation of 980 nm near-infrared light, the ceramics appear three visible emission bands centered at 551 nm, 669 nm and 756 nm. The mechanism of up-conversion luminescence is discussed, and the results show that ceramic up-conversion luminescence is related to the two-photon process. 365 nm UV light irradiation of ceramic up-conversion and down-conversion luminescence intensity of attenuation modulation phenomenon, the green luminescence modulation effect is better than the red. Information on the distribution and depth of traps inside the ceramics was obtained by thermoluminescence spectroscopy tests, proving the existence of carrier traps. The results of fluorescence lifetime tests and luminescence kinetics tests before and after UV irradiation showed that the light intensity decay was related to the energy transfer from the luminescence center to the trap center.
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  Development and experimental study on the physical-mechanical properties of lightweight phase change concrete

  WANG Xiuli, LI Weilong, XU Jingjing

  Journal of Functional Materials. 2024, 55(5): 5020-5027. https://doi.org/10.3969/j.issn.1001-9731.2024.05.004

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  Using silica aerogels as the matrix material and low-temperature phase change paraffin wax as the phase change material, shaped composite phase change materials were prepared. Characterization and stability tests of the shaped composite phase change materials were conducted using Fourier-transform infrared spectroscopy, differential scanning calorimetry, synchronous thermal analysis, and diffusion-permeation circle tests. The results indicate that the shaped composite phase change material prepared with a wax adsorption mass of 75% is the most stable, with the interaction between silica aerogels and paraffin wax being purely physical adsorption. The phase transition temperature of the shaped composite phase change material is 26.52 °C, and the latent heat of phase transition is 56.2 J/g. By incorporating it into EPS concrete, the cement paste flowability experiment restricts the optimum proportion of shaped composite phase change material to around 16%, yielding optimal working performance of the concrete mixture. Physical-mechanical property tests reveal that with the addition of the shaped composite phase change material, the compressive, flexural, and splitting tensile strengths of the specimens all exhibit a certain degree of improvement. Through thermal storage performance tests in a thermal chamber, specimens with added shaped composite phase change material show a decrease in the slope and peak value of the heating and cooling curves. This indicates that lightweight phase change concrete has excellent temperature control performance and can be used in energy-efficient building envelope systems.
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  Preparation of polypyrrole modified carboxymethyl cellulose/sulfonated conjugated microporous polymer composite aerogel and its photothermal conversion water purification properties

  SONG Lingyan, MA Lina, GUO Yuping, GUO Yuyan, YU Jiale, YANG Yipeng, YANG Yiming, CHEN Lihua, Hasi QiMei Ge

  Journal of Functional Materials. 2024, 55(5): 5028-5037. https://doi.org/10.3969/j.issn.1001-9731.2024.05.005

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  As the material basis for the survival of life, fresh water resources are facing serious challenges. Using efficient solar-driven interface evaporation (SSG) is an important means to solve the current water shortage. A new porous material conjugated microporous polymer (CMPs) plays an important role in water treatment technology. A new type of solar energy evaporator (CMC/ SCMP-PPY) was prepared by spraying polypyrrole on its surface with CMC/SCMP as a precursor. The light absorption rate was up to 91% and the photothermal conversion ability was realized. The aerogel showed good photothermal conversion performance under 1 kW/m² irradiation, and the evaporation efficiency reached 85.57%. The porous structure and hydrophilic characteristics make it have excellent water transport ability, and the stable chemical structure makes it have excellent salt resistance to prevent salt crystal deposition and clogging material channels, so that it can realize the photothermal conversion ability. This work further optimizes the purification of CMPs in wastewater, realizes the utilization of clean energy, and provides a new idea for the development of new photothermal materials.
Review & Advance
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  Silica microspheres preparation methods: A review

  ZHAO Wenchao, YANG Runze, XIAO Peiwen, ZHOU Quan, HAN Xue, LU Yixin, WANG Pingmei, XU Wenqing, GAO Xin, PAN Gebo

  Journal of Functional Materials. 2024, 55(5): 5038-5046. https://doi.org/10.3969/j.issn.1001-9731.2024.05.006

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  Silica micro spheres are a type of inorganic filler, widely used in electronic packaging, bio-medicine, mechanical polishing, and fluid transportation due to their large specific surface area, high chemical stability, excellent temperature resistance, high mechanical strength, and environmental friendliness. This paper reviews the common preparation methods, such as sol gel method, vapor phase method and high-temperature spheroidization method, and points out the advantages and disadvantages of the methods above. In addition, their applications in composite materials are introduced, and views on the improvement of these methods and the research directions are looked into the future. In addition, this article introduces the principle, advantages, and applications of the creative and novel vapor oxidation method.
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  Research progress in epoxy grouting materials

  CAI Xiongrui, MEI Ting, RAN Ya, MENG Shiyun, LI Xiaodan

  Journal of Functional Materials. 2024, 55(5): 5047-5056. https://doi.org/10.3969/j.issn.1001-9731.2024.05.007

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  With the increase of highway traffic flow, vehicle load, and the service life, road surface diseases are increasingly apparent, and research and development of high-performance chemical grouting materials has become an urgent need. Epoxy resin grouting material has become a kind of grouting materials with great development potential because of its high strength, good mechanical properties, adhesion, low shrinkage and thermal stability. In order to meet the application needs of epoxy grouting materials in various aspects, there have been a variety of modification methods to improve the mechanical properties of epoxy grouting materials. For example, the flexible groups such as organosilicon and ether groups are introduced into the molecular chain segment, the interpenetrating network structure is formed by blending with polyurethane, and the reinforcement filler such as fibers and nanoparticles is added or other methods are used to obtain high mechanical properties. In this paper, the modification methods of epoxy grouting materials are reviewed from the aspects of structural modification, blending modification, doping modification and other methods, and the prospect of epoxy grouting materials field is also present.
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  Research of the effects of calcium on microstructure and performance of geopolymer: a review

  JIAO Xiangke, LI Ling, LI Jia

  Journal of Functional Materials. 2024, 55(5): 5057-5065. https://doi.org/10.3969/j.issn.1001-9731.2024.05.008

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  Geopolymer not only possesses the combined excellent properties of organic polymer materials, ceramic materials and cement materials, but also has many advantages such as low production energy consumption and carbon emissions, wide raw material source, and excessive consumption of solid wastes. Therefore, it has rapidly become a research hotspot in the field of inorganic cementitious material in recent years. After introducing the calcium component into geopolymer system, the interaction processes among the main gel phases may become more complicated. Moreover, microstructure and the main performance of geopolymer may be greatly affected. In this paper, we systematically review the research developments in Ca-containing geopolymer, with a particular summary and analysis on the way of introducing calcium component during geopolymer preparing process, as well as the influence rule and action mechanism of calcium component on microstructure and performance (including setting time, compressive strength, solidification/stabilization of heavy metals, resistance to chemical attack, alkali-aggregate reaction, thermal stability, and resistance to efflorescence) of geopolymer. It would provide technical reference for performance control and application study of Ca-containing geopolymer.
Research & Development
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  Study on preparation and permeability of water-based epoxy resin grouting material

  WANG Zhenlin

  Journal of Functional Materials. 2024, 55(5): 5066-5071. https://doi.org/10.3969/j.issn.1001-9731.2024.05.009

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  A water-based epoxy resin grouting material was prepared using waterborne epoxy resin E51 as the raw material and diethylenetriamine (DETA) as the curing agent. The effects of DETA dosage on the setting time, viscosity, mechanical strength, and permeability of the grouting material were studied.The results showed that with the increased of the mass fraction of curing agent DETA, the initial setting time of water-based epoxy resin grouting material gradually decreased, the viscosity continues to increased, the bonding strength first increased and then decreased, the thermal stability improved, the thermal weight loss rate slowed down, the residual carbon rate increased, and the penetration time increased.When the DETA mass fraction was 30%, the minimum initial setting time of the grouting material was 8.0 h, and the maximum viscosity at the corresponding time was 80 334 mPa·s.When the DETA mass fraction was 25%, the adhesive strength and compressive strength of the grouting material reached their maximum values, which were 2.94 and 59.9 MPa, respectively, with corresponding fracture elongation of 13.82%.At 800 ℃, the residual carbon rate of water-based epoxy resin grouting material with a DETA mass fraction of 25% was 9.3%, and the penetration time was 1 709 s. It had good thermal stability and penetration performance.Comprehensive analysis shows that the optimal mass fraction of DETA is 25%.
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  Growth and characterization of a novel multi gradient diamond likecarbon coating

  YU Lan, TANG Hua, YU Shangshang, LI Duosheng

  Journal of Functional Materials. 2024, 55(5): 5072-5078. https://doi.org/10.3969/j.issn.1001-9731.2024.05.010

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  In this paper, Cr/Cr-WC/WC-H/ta-C:H multi-gradient coating was deposited on the Cr12MoV substrate. The microstructure of the multi-gradient diamond like carbon (DLC) coating was characterized by scanning electron microscopy (SEM), Raman spectrometry, and X-ray photoelectron spectroscopy (XPS). The mechanical properties of coating were investigated by using nanoindentation tester, nano-scratch tester, and ball-and-disc tribometer. The results show that compared with the Cr12MoV without deposited coating, the friction coefficient of Cr/Cr WC/WC-H/ta-C: H multi gradient coating is about 10%, as low as 0.019. The hardness of Cr/Cr WC/WC-H/ta-C: H (DLC) coating can reach up to 24.1 GPa, with a high adhesion of 62 N. A new multi-layer gradient coating was designed, which introduces a high lubricity amorphous carbon and hard supported WC layer. It suppresses crack propagation, and significantly improves the mechanical properties of Cr12MoV. In addition, electrochemical corrosion tests showed that the Cr/Cr-WC/WC-H/ta-C:H multi-gradient coatings had superior corrosion resistance in 3.5% NaCl solution.
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  First principles study on the influence of defects on the photoelectric properties of single-layer WSe₂ structure

  LIAO Zhanwang, JIANG Yuqi, GUO Xiang

  Journal of Functional Materials. 2024, 55(5): 5079-5085. https://doi.org/10.3969/j.issn.1001-9731.2024.05.011

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  Tungsten tungsten (WSe₂) has many excellent performance, and has excellent potential in the application of spin electronics and optoelectronics. Studying the electronic structure of defect WSe₂ helps to understand the effects of loading and scattering. It is of great significance in the application of electron and optoelectric computers. Based on the theory of density general letters, this article has studied the effects of five points of defects on the electronic structure and optical nature of WSe₂. Studies have found that after analysis defects with differences, the control capabilities of the single-layer WSe₂ are strong, and some defect models enhance the conductivity of the material. The optical properties of the material after the introduction of defects have changed significantly. Compared with the structure of this sign, the absorption edges have red shifts, which has a stronger long wave absorption ability. These theoretical results show that the introduction of defects can indeed regulate the electronic structure and optical properties of WSe₂, which provides theoretical support in the transport electronics and photonology of two-dimensional carrier.
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  Study on the adsorption performance of Pb²⁺ in water by Birnessite-type manganese dioxide nanoflowers

  HAO Xinli, ZHENG Yutao, ZHOU Yahong, ZHOU Jingkai, DAI Yuhan, MA Jiaying, LI Qihang

  Journal of Functional Materials. 2024, 55(5): 5086-5092. https://doi.org/10.3969/j.issn.1001-9731.2024.05.012

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  The pollution of heavy metals in water has caused an important impact on human production and life. In this paper, Birnessite type manganese dioxide nanomaterials were used as new adsorbents to study the adsorption properties of Pb²⁺ in water. Firstly, the Birnessite MnO₂ nanoflowers with the size from 200 nm to 900 nm were prepared by liquid phase synthesis method, and the adsorptive property of the obtained samples was studied by Pb²⁺ adsorption experiments. The effects of pH value, ionic strength, material size, adsorption time and initial concentration of Pb²⁺ were investigated. The adsorption mechanism of Pb²⁺ was studied with the fitting data of kinetic model and isothermal adsorption curve model. The experimental results showed that the prepared Birnessite MnO₂ nanoflowers had excellent adsorption properties for Pb²⁺ in water with the pH value 5-9, and the maximum adsorption capacity was up to 300 mg·g^-1. The Birnessite MnO₂ nanoflowers with the smaller size had the larger specific surface area, which caused the better adsorption performance. The Birnessite MnO₂ nanoflowers still had about 80% adsorption capacity when the Pb²⁺ adsorption experiment carried out in high ionic strength solution. The fitting data of adsorption kinetics and isothermal adsorption curve show that the adsorption process of Pb²⁺ by Birnessite MnO₂ nanoflowers is mainly the process of uniform coverage by single molecular layer with chemisorption process.
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  Synthesis of g-C₃N₄/C induced by stem template and photocatalytic degradation of tetracycline

  XU Yang, LIU Chengbao, CAO Yida, ZHENG Leizhi, CHEN Feng, QIAN Junchao, QIU Yongbin, MENG Xianrong, CHEN Zhigang

  Journal of Functional Materials. 2024, 55(5): 5093-5100. https://doi.org/10.3969/j.issn.1001-9731.2024.05.013

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  To solve the great harm and potential threat caused by antibiotics left in the environment, Artemisic stalk (high cellulose content) and bean bud (low cellulose content) stalk were used as biological templates to synthesis g-C₃N₄/C photocatalytic materials. The uneven structure of the stem surface was used as a micro-reaction space to control the amount of local dicyandiamide and as a crystalline nucleus to induce the synthesis of sheet graphite phase carbon nitride (g-C₃N₄) and the photocatalytic degradation of tetracycline was investigated. The material was characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and fluorescence spectroscopy. The results showed that g-C₃N₄ was successfully loaded on the surface of biochar matrix, and the dispersion of g-C₃N₄ on biochar matrix is higher and the agglomeration is lower. Under simulated visible light irradiation for 30 min, g-C₃N₄/C synthesized at the mass ratio of stem template to dicyandiamide 1:2 showed highest degradation efficiency for tetracycline (TC), which was 31.7% and 26.1%, respectively. After four cycles, the TC degradation efficiency of ACN-2 decreased from 31.7% to 27.2%, indicating the good photocatalytic cycle stability of the material.
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  The growth and variable temperature Hall effect study of CsPbBr₃ crystal

  WANG Jie, JIN Zhiyuan, PENG Jing, ZHANG Shaoqing, HUANG Wei, HE Zhiyu

  Journal of Functional Materials. 2024, 55(5): 5101-5105. https://doi.org/10.3969/j.issn.1001-9731.2024.05.014

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  In this article, directional solidification method was used to purify the CsPbBr₃ polycrystalline material, and a CsPbBr₃ single crystal with size of 30 mm × 70 mm was successfully grown by vertical Bridgman method. The test results of the purified polycrystalline using ICP-OES showed that the impurity content in the purified polycrystalline CsPbBr₃ decreased by 28.7%. Analysis of the wafer obtained after cutting using XRD and EDS revealed that the crystal plane direction of the wafer belonged to the {210} crystal plane group, and the Cs, Pb, and Br elements were uniformly distributed in the crystal, with atomic percentages that met the stoichiometric ratio. FTIR and UV-visible spectrophotometers were used to measure the transmittance of the crystal. The results showed that the infrared transmittance of the grown crystal exceeded 75% in the range of 500 /cm to 4000 /cm. The UV short-wave cutoff edge was 552 nm, corresponding to bandgap energy of 2.246 eV. Seven different temperature points were selected to test variable temperature Hall effect of the CsPbBr₃ single crystal. The results showed that the grown crystal was a P-type conductor. The main scattering mechanisms of charge carriers in the temperature range of 250 K to 300 K and 300 K to 350 K were acoustic wave scattering and ionized impurity scattering, respectively. In the temperature range of 150 K to 250 K, the scattering mechanism was more consistent with a combination of multiple scattering mechanisms. By further fitting the relationship between the carrier concentration p and 1/T, the ionized energy of impurities in the crystal was calculated to be ΔE_A=0.3042 eV.
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  Zn and B doped mechanically enhanced 45S5 bioactive glass scaffold

  XIE Zhiyi, ZHAO Qingjuan, PAN Jiafang, SUN Jinchao, QIAN Jian ming, ZHANG Hui

  Journal of Functional Materials. 2024, 55(5): 5106-5113. https://doi.org/10.3969/j.issn.1001-9731.2024.05.015

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  The 45S5 bioactive glass multi-hole scaffold is doped with B and Zn elements. The B element can effectively reduce the melting temperature of the bioactive glass prepared by melting method, and reduce the damage of high temperature to the biological activity of 45S5 glass. It was observed by SEM that the microstructure of the scaffold became denser after B doping, and the compressive test results show that the compressive strength of the B-doped glass scaffold was 2 to 3 times that of the pure 45S5 glass scaffold, up to 9.68 MPa. It shows that B also has a significant effect on the mechanical properties of the scaffold. However, the incorporation of B elements can reduce the in vitro bioactivity of 45S5 glass scaffolds, and excessive B doping can also cause the scaffolds to be burned. After deter mining the relative optimal doping concentration of B element, the addition of Zn element to the glass scaffold can improve the sintering stability of the scaffold. The compressive strength of the scaffold can be continuously enhanced, and the optimal value can reach 14.52 MPa, which can match the properties of human cancellous bone. At the same time, the SEM images of the scaffolds immersed in SBF simulated body fluid for 7 days showed the incorporation of Zn element, which significantly improved the in vitro biological activity of 45S5 glass scaffolds. In summary, a mechanically enhanced bone repair material with good biological activity is prepared by co-doping B and Zn elements into 45S5 bioglass porous scaffolds, which has certain application value in bone tissue engineering.
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  Preparation and properties of electrochemically deposited Cu₂O thin films

  HAN Jian, CHEN Luoyi, MA Binbin, CHEN Liangyu, LEI Caixia

  Journal of Functional Materials. 2024, 55(5): 5114-5118. https://doi.org/10.3969/j.issn.1001-9731.2024.05.016

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  Cu₂O films were prepared on the surface of indium tin oxide (ITO) conductive glass using copper acetate and sodium acetate as electrolyte solution by electrochemical deposition method. The crystal phase, micromorphology and optical properties of Cu₂O thin films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and ultraviolet-visible spectrophotometer (UV-Vis). The photocurrent spectrum of Cu₂O was measured under the condition of illumination, and the photoelectrochemical properties and photocatalytic activity of methylene blue degradation of Cu₂O films were evaluated.
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  Preparation and thermal properties of nano-SiC modified paraffin phase change emulsion

  CHEN Wei, XIAO Yixiao, LI Airong, BAI Xinyi

  Journal of Functional Materials. 2024, 55(5): 5119-5125. https://doi.org/10.3969/j.issn.1001-9731.2024.05.017

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  In order to prepare a pumpable PCME with high stability, low subcooling and high thermal conductivity, a modified PCME was prepared by adding different mass fractions of nano-SiC to paraffin (RT55) emulsion (SiC/PCME). The sample of SiC/PCME was prepared by ultrasonic method. The particle size distribution, phase change behaviors, thermal conductivity, thermal response rate and rheological properties of SiC/PCME were investigated. The results showed that the volume average particle size of SiC/PCME with 0.09 wt% SiC was 480 nm, and there was slight change in the particle size distribution before and after 20 days and 120 thermal cycles. The latent heat value of 0.09 wt% SiC/PCME measured by DSC was 39.0 J/g , and the subcooling degree was only 0.03 ℃, which was 11.8 ℃ lower than that of unmodified PCME. The subcooling degree of 0.09 wt% SiC/PCME was hardly changed after 120 cycles, which had good cycling thermal stability. The thermal conductivity of SiC/PCME was reached 4.247 W/m·K at 55 ℃. The thermal conductivity of the PCME and thermal response speed were improved by the addition of SiC nanoparticles. The lowest viscosity of SiC/PCME was 3 mPa·s at the shear speed of 100/s.
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  Electronic structure regulation and electrocatalytic oxygen evolution of perovskite oxide LaCuO₃

  HOU Weili, ZHANG Ying, SHANG Jihua, SUN Yufeng, LIANG Dandan

  Journal of Functional Materials. 2024, 55(5): 5126-5133. https://doi.org/10.3969/j.issn.1001-9731.2024.05.018

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  Perovskite oxides have become one of the most popular materials for electrolytic water anode catalysts because of their relatively high OER catalytic activity. In this paper, LaCuO₃ perovskite oxide was synthesized by sol-gel method, and the catalytic activity of the electrocatalyst was improved by doping of Co and Ni elements. Through X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) characterization, as well as electrochemical tests and analyses, such as steady state polarisation (LSV), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), it was found that the overpotential of LaCu_0.8Ni_0.2O₃ was as low as 285 mV at 10 mA/cm², and it possessed a better catalytic activity of OER. This is because the ionic radius of Ni element is greater than that of Cu element, which increases the reactive active site of the catalyst, thereby improving its catalytic activity.
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  First-principles calculation of electronic structure and mechanical properties of hexagonal GaM (M=S/Se/Te)

  LU Yuxi, ZHANG Xin, LI Shina

  Journal of Functional Materials. 2024, 55(5): 5134-5140. https://doi.org/10.3969/j.issn.1001-9731.2024.05.019

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  Simulations of electronic structure and elasto-mechanical properties of GaM (M=S/Se/Te) with layered hexagonal P63/mmc structure are investigated based on density-functional theory (DFT). The optimized lattice of P63/mmc-GaM (M=S/Se/Te) matches the experimental results. The bandgap values obtained using the HSE06 generalization are closer to the experimental values than those obtained by PBE. The single-crystal elastic constants of P63/mmc-GaM (M=S/Se/Te) obtained by both strain-energy-strain (E-S) and stress-strain (S-S) methods meet the elasto-mechanical stability criterion. A subsequent analysis of the mechanical properties such as polycrystalline elastic modulus of the three materials is carried out based on the stress-strain (S-S) method, which is closer to the literature values. Poisson's ratio and B/G values indicate that P63/mmc-GaM (M=S/Se/Te) shows brittleness. Three-dimensional stereograms of the anisotropy factor, elastic modulus E, shear modulus G, and linear compression coefficient β show the degree of elastic anisotropy of the material, respectively. At zero temperature and pressure, the first transverse sound velocity of P63/mmc-GaM (M = S/Se/Te) is the largest in the [100] direction, and the two transverse waves TA1 and TA2 are the slowest in the [001] direction.
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  Preparation and dielectric properties of stannous oxide/polyimide composite films

  LI Ke, YANG Lin, YANG Lin, DU Juan, LI Xinyue

  Journal of Functional Materials. 2024, 55(5): 5141-5146. https://doi.org/10.3969/j.issn.1001-9731.2024.05.020

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  In this paper, stannous oxide (SnO) was synthesized by hydrothermal method, and then the obtained SnO was introduced into polyimide matrix by in-situ polymerization method to prepare SnO/PI composite films. The contents of SnO have significant influence on the dielectric constant, dielectric loss, tensile strength and breakdown strength of the film. When the contents of SnO was 10wt%, the dielectric constant of the SnO/PI composite film was as high as 456, the dielectric loss was only 0.034, the tensile strength was 65 MPa, and the breakdown strength was 146.9 MV/m, respectively. The introduction of SnO into PI could greatly improve the dielectric properties of the composite PI films, so that it has a good application prospect in energy storage, aerospace, insulation and other fields.
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  Preparation of MIL-100(Fe) photo-fenton catalysts and their recyclability

  LI Tao, WANG Hua, XU Jiajun, WANG Ning, LIN Jiayi, CHEN Youmei, CHEN Lu, XUE An, CHU Zhiyao, LI Yang

  Journal of Functional Materials. 2024, 55(5): 5147-5151. https://doi.org/10.3969/j.issn.1001-9731.2024.05.021

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  In order to solve the problem of metal-organic framework MIL-100(Fe) powder which was difficult to be recycled and reused in industrial applications, this paper synthesized MIL-100(Fe) powder by a hydrothermal method. The MIL-100(Fe)@porous ceramic composites were prepared by loading the powder on alumina porous ceramic using vacuum filtration method. The structure and properties of the MIL-100(Fe) and composites were characterized by using field emission scanning electron microscope-energy spectrometer (FE-SEM-EDS), X-ray diffractometer (XRD), specific surface area analyzer (BET), and ultraviolet-visible spectrophotometer (UV-VIS). The photo-Fenton-degradation abilities in the H₂O₂ reaction system were investigated by simulating the dye wastewater with rhodamine B (RhB) solution. Results showed that the MIL-100(Fe) presented an octahedral structure with a specific surface area as high as 1 152.75 m²/g. When the reaction temperature was 60 ℃, the initial concentration of H₂O₂ was 0.5 g/L and the initial concentration of RhB solution was 20 mg/L, the degradation rate of RhB solution reached 99.26%. When the MIL-100(Fe)@porous ceramic composites were recycled for 5 times, the degradation rate of RhB solution still reached more than 98%. The composites present excellent recyclability and had promising for commercialization application.
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  Adsorption effect on Cu²⁺ in water treated by sodium-modified sludge biochar combined with attapulgite

  REN Jun, SUN Xinni, REN Hanru, HAN Xuexin, LYU Mairong, ZHANG Jing, WANG Ruoan, TAO Ling

  Journal of Functional Materials. 2024, 55(5): 5152-5160. https://doi.org/10.3969/j.issn.1001-9731.2024.05.022

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  Copper containing wastewater is a serious threat to human health and environmental safety. Sodium-modified sludge biochar combined with attapulgite with Cu²⁺ adsorption performance was prepared from waste sludge and attapulgite, and was used to treat Cu²⁺ containing wastewater. The structure and surface properties of the material were analyzed and characterized using SEM, XRD, and FT-IR. The complexation of oxygen-containing functional groups or the Π electronic interaction of the presence of C=C bonds on the surface of the composite material is the main mechanism for adsorbing heavy metals. The adsorption effect and mechanism of composite materials on Cu²⁺ have been studied, and the effects of composite ratio, solution pH, material addition amount and initial concentration of Cu²⁺ on the adsorption performance of the materials were investigated. The adsorption kinetics and adsorption isotherm and related subjects of the adsorption process were discussed, and the optimal adsorption conditions were predicted by response surface analysis. The results showed that when the mass ratio of sludge to attapulgite was 2∶1, pH was 5, the addition amount was 1.5 g/L, and the initial concentration of Cu²⁺ was 4 mg/L, the maximum adsorption capacity of the material for Cu²⁺ was 3.339 mg/g. The adsorption process followed the quasi second order kinetic model and Langmuir adsorption isotherm equation, indicating that the adsorption of Cu²⁺ by the material was a single molecular layer chemical adsorption. Response surface analysis predicted a pH of 5.04, the addition amount of adsorbent of 1.16 g/L, and the initial concentration of Cu²⁺ at 3.60 mg/L is the optimal adsorption condition. Sodium-modified sludge biochar combined with attapulgite is a highly potential adsorbent in the treatment of copper containing wastewater in practice.
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  Research on the property enhancement of Ru-based catalyst for Sabatier reaction by oxygen vacancy from the support

  CHEN Zhiqiang, FANG Tao, SUN Haiyun, WANG Qing, JIANG Rongpei, LIU Mengran, XIANG Kai

  Journal of Functional Materials. 2024, 55(5): 5161-5168. https://doi.org/10.3969/j.issn.1001-9731.2024.05.023

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  In this paper, the formation of oxygen vacancy in the Al₂O₃ support was induced by urea doping. Through metal-support interaction, the dispersion of Ru-based active species on the surface of the Al₂O₃ support was improved. The electronic properties of Ru-based active centers was regulated, and then the catalytic performance of the Ru-based catalyst for Sabatier reaction was effectively improved. In this process, it was verified by nuclear magnetic resonance spectroscopy (²⁷Al-NMR) that urea doping can effectively induce the formation of oxygen vacancy in the Al₂O₃ support. Transmission electron microscopy (TEM) showed that, the loaded Ru particles could be stabilized at about 3.7 nm on the surface of the Al₂O₃ support rich in oxygen vacancy, and the distribution of particle size was concentrated. By X-ray photoelectron spectroscopy (XPS) and H₂ programmed temperature reduction (H₂-TPR), it was found that the oxygen vacancy from the Al₂O₃ support can effectively regulate the electronic property of the Ru-based active sites. Sabatier reaction performance test showed that under the reaction condition of 300 ℃, n_CO2∶n_H2=1∶4 and 6000 mL/(g·h), the conversion rate of CO₂ could be reached at 61.25% and the selectivity of CH₄ could be reached at 92.31%. Moreover, the catalytic performance did not decrease within 20 hours of the reaction time.
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  Preparation and properties of water reducing agent modified solid waste based autoclaved aerated concrete

  LIU Fengli, HOU Kongcao, LIU Junhua, GUO Beifang, LI Qiang

  Journal of Functional Materials. 2024, 55(5): 5169-5176. https://doi.org/10.3969/j.issn.1001-9731.2024.05.024

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  The solid waste-based autoclaved aerated concrete (AAC) was prepared by granite stone powder and yellow river superfine sand as siliceous materials, carbide slag as calcareous material, as well as polycarboxylate superplasticizer as modifier. The effects of polycarboxylate superplasticizer dosage on paste fluidity, gassing process, compressive strength, dry density, porosity and pore size distribution of AAC were investigated. The results showed that when the water reducing agent dosage increased from 0.15% to 0.30%, the initial fluidity of the paste, the rate of gassing, the amount of gassing and porosity all gradually increased, and the compressive strength and dry density of the products gradually decreased. When the water reducing agent dosage was 0.25, the paste initial fluidity was 270 mm, the air generation was 208 mL, the porosity was 82.54%, the compressive strength was 2.9 MPa, the dry density was 509 kg/m³, and the overall performance of AAC was optimal. When the water reducing agent dosage was larger than 0.2%, the large pores above 2 mm almost disappeared, and the porosity and the content of harmless pores in the pore wall had a more obvious effect on the compressive strength of AAC.
Process & Technology
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  Ni doping to improve the cocatalytic activity of MoS₂ cocatalyst for ZnIn₂S₄ photocatalytic H₂ production and toxic Cr (VI) reduction

  CHEN Wenxuan, QIAO Xiuqing, LI Chen, WANG Zizhao, HOU Dongfang, SUN Bojing, LI Dongsheng

  Journal of Functional Materials. 2024, 55(5): 5177-5187. https://doi.org/10.3969/j.issn.1001-9731.2024.05.025

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  The Gibbs free energy of H⁺ adsorption on transition metal sulfide MoS₂ is close to zero, considered to be a promising cocatalyst for hydrogen production. However, the limited exposure of the active sites of MoS₂ cocatalyst limits the activity. In this work, Ni-BDC microspheres was chosen as Ni sources and templates to synthesize nickel doped MoS₂ cocatalyst via a hydrothermal method. The cocatalyst can significantly improve the photocatalytic hydrogen evolution activity of ZnIn₂S₄. The optimized photocatalyst (labelled as NMS/ZIS-10) exhibits the highest hydrogen evolution rate of 4.17 mmol/(g·h), which is 12.26 times and 2.72 times of pure ZnIn₂S₄ and MoS₂/ZnIn₂S₄ photocatalysts, respectively. In addition, NMS/ZIS-10 also exhibits significantly enhanced toxic Cr (VI) reduction activity due to the promoted charge separation. The excellent photocatalytic performance of Ni-MoS₂/ZnIn₂S₄ is mainly due to the increase of active sites caused by Ni doping, the enhancement of light absorption ability, the improvement of charge carrier separation, and the extension of electronic lifetime. The results of this study provide valuable references for optimizing the design of high-performance Mo based co catalysts.
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  Study on the interfacial shear mechanical properties of graphene/polyethylene composite materials based on molecular dynamics method

  LUO Weilun, SU Guangxia, HUANG Lixin

  Journal of Functional Materials. 2024, 55(5): 5188-5194. https://doi.org/10.3969/j.issn.1001-9731.2024.05.026

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  Molecular dynamics simulation was used to study interfacial shear mechanical properties of graphene/polyethylene composite materials. The molecular dynamics simulation model for graphene/polyethylene composite materials was established firstly, and then a pull-out simulation experiment was conducted on graphene at a temperature of 300 K to explore the effects of graphene inclination angle and number of layers on the interfacial shear mechanical properties of the composite material. The simulation calculation results show that at a pull-out rate of 0.01 Å/fs, the interfacial shear strength of the graphene 25° inclination angle model is the highest, which is 39.8% higher than that of the 0° inclination angle model. It can be seen that the inclination angle of graphene has a significant impact on the interfacial shear strength. At a pull-out rate of 0.01 Å/fs and a 0° inclination angle of graphene, the maximum interfacial shear stresses of single-layer, double-layer, and three-layer graphene polyethylene composite models were 89.20 MPa, 114.21 MPa, and 129.28 MPa, respectively. It is evident that increasing the number of graphene layers can significantly improve the interfacial shear properties of the composite material. When the pull-out rate is 0.005 Å/fs, the shear strength values of single-layer, double-layer, and three-layer graphene polyethylene composite models were relatively close. As the rate increases to 0.01 Å/fs, the shear strength of the three-layer model increases the most, followed by the double-layer model, and the single-layer model has the smallest. However, after the rate exceeds 0.01 Å/fs, the shear strength of the single-layer model almost linearly increases. The magnitude of shear strength enhancement in both the two-layer and three-layer models is smaller than that in the single-layer model, indicating that the increase in pull-out rate leads to a significant improvement in the interfacial shear strength of the composite material.
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  Stability and low-temperature rheology of environmentally friendly vegetable composite oil-based Ni_0.5Zn_0.5Fe₂O₄ magnetic fluids

  GONG Qiu, WU Zhangyong, ZHANG Gang, ZHU Qichen, JIANG Jiajun

  Journal of Functional Materials. 2024, 55(5): 5195-5202. https://doi.org/10.3969/j.issn.1001-9731.2024.05.027

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  Vegetable oil as a base carrier fluid for nanomagnetic fluids suffers from the problem of poor cold flow behavior, and the addition of poly methacrylate is expected to reduce the pour point of vegetable oil and improve the low-temperature flowability of vegetable oil-based magnetic fluids. In this paper, a new environmentally friendly magnetic fluid was prepared by using Poly α Olefin(PAO-8) and corn oil as a composite base carrier fluid, and poly methacrylate as a depressant to study the stability of its settling. The low-temperature flow properties of the nanomagnetic fluids at different temperatures were investigated from the viewpoints of magnetic field, temperature, Ni_0.5Zn_0.5Fe₂O₄ mass fraction, PAO-8, and the addition of the depressant using a rotational viscometer.The results showed that the best settlement stability of the nanomagnetic fluids produced without surfactant, a mixture of 100 ml of corn oil and 25% of PAO-8 as the composite base carrier fluid, and Ni_0.5Zn_0.5Fe₂O₄ mass fraction of 0.767%. The magnetic fluid with the addition of 0.5% poly methacrylate has better low-temperature flow properties and the pour point reaches -36 ℃. Under the condition of no magnetic field, when the temperature is lower than -25 ℃, the viscosity of the magnetic fluid increases abruptly with an exponential rising trend, and the low temperature fluidity of the magnetic fluid becomes worse; under the condition of magnetic field, the viscosity of the nanomagnetic fluid is positively correlated with the magnetic field strength, and the viscosity curve changes significantly when the magnetic field strength is greater than 20 mT. The nanomagnetic fluid prepared in this paper has the characteristics of environmental protection and good low-temperature fluidity performance, which can be applied to low-temperature working conditions, and this study contributes to the further development of low-temperature applications of environmentally friendly magnetic fluids.
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  Study on the mechanical properties and influencing mechanism of alkali activated low-carbon concrete

  YUN Zhenjun, YAO Zhanquan, WANG Hailong, LI Yue

  Journal of Functional Materials. 2024, 55(5): 5203-5209. https://doi.org/10.3969/j.issn.1001-9731.2024.05.028

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  In response to the problem of carbon emissions generated during the production and utilization of cement, and the decrease in mechanical properties of concrete prepared by replacing cement with solid waste materials under high dosage conditions, this article uses 4% Na₂SiO₃ to alkali excite glass powder (GP), and then replaces 50% of cement to prepare low-carbon concrete. The results indicate that the mechanical properties of low-carbon concrete are much lower than those of ordinary concrete. The addition of Na₂SiO₃ improves the mechanical properties of low-carbon concrete to a certain extent, and increases the compressive strength by 22.6%, 27.5%, 19.8%, and 17.2% at each age, respectively. The splitting tensile strength increased by 21.3%, 20.6%, 18.2%, and 16.3%. Na₂SiO₃ causes the abundant SiO₂ in the glass powder to appear obvious deconstruction phenomenon under the action of OH^-, which makes it combine with Ca, Na, K and other elements inside the low-carbon concrete to generate more C-S-H gel, C-A-S-H gel, N-A-S-H gel. At the same time, it also produces potassium A zeolite crystals with higher strength that other groups do not have, while reducing the macropore content of low-carbon concrete and optimizing the pore structure. This in turn leads to a significant improvement in the mechanical properties of low-carbon concrete. This study provides new ideas and insights for reducing carbon emissions and the use of large amounts of solid waste in concrete.
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  Preparation and performance analysis of Bi₂WO₆-N-TiO₂ nanotube electrodes

  ZHANG Tian, WANG Liming, LIU Chengguo, LIU Tingting, WEI Chao, LI Wei, CHEN Yangyang

  Journal of Functional Materials. 2024, 55(5): 5210-5214. https://doi.org/10.3969/j.issn.1001-9731.2024.05.029

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  Bi₂WO₆-N-TiO₂ nanotube electrodes were prepared by hydrothermal method and low temperature plasma method, which were characterized by SEM, EDS, XRD, UV-Vis-DRS, CV and I-t, and applied to the degradation of ciprofloxacin antibiotic wastewater. The results showed that Bi₂WO₆ nanosheets were successfully loaded onto the surface of TiO₂ nanotube electrode, and the co-modification of Bi₂WO₆ and N significantly enhanced the absorption of visible light by TiO₂. Electrochemical analysis results showed that the modified TiO₂ nanotube electrode had excellent photoelectric conversion performance, and the photocurrent density was about 5-9 times that of the modified TiO₂ nanotube electrode. The degradation of ciprofloxacin by Bi₂WO₆-N-TiO₂ nanotube electrode followed the first-order kinetic reaction equation, in which 0.8 mmol Bi₂WO₆-N-TiO₂ nanotube electrode had the highest degradation rate, reaching 0.00683 min^-1.
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  ZnO doped MgHPO₄·0.78H₂O coating for daytime radiation cooling research

  JIANG Zhoucheng, Tao Yu, LUO Song, SU Qing, HUANG Xia

  Journal of Functional Materials. 2024, 55(5): 5215-5221. https://doi.org/10.3969/j.issn.1001-9731.2024.05.030

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  Objects can radiate emission of heat to outer empty space (~3 K) through an atmospheric window (8-13 μm), resulting in a possibility for radiative cooling. In this paper, ZnO doped MgHPO₄·0.78H₂O powder was synthesized by two-step hydrothermal synthesis method with anhydrous magnesium chloride as magnesium source, sodium pyrophosphate as phosphorus source and zinc oxide as zinc source. Then, ZnO doped MgHPO₄·0.78H₂O radiative cooling coating was prepared with polyvinyl alcohol(PVA) as film forming agent. The daytime radiative cooling performance of the coating was studied. The results indicate that Mg:P:ZnO powder with molar ratio of 1∶1∶0.5 powder has a high reflectance of 93% in the solar spectral region of 0.3-2.5 μm and a high emissivity of 0.91 in the atmospheric window of 8-13 μm. Compared with the undoped ZnO powder, the solar spectral (0.3-2.5 μm) and near-infrared reflectivity (0.76-2.5 μm) are increased by 3% and 7% respectively. In the high humidity area, 0.5-ZnO coating could achieves a daytime radiative cooling of 3 ℃ below the ambient air temperature, providing valuable references for its application of radiative cooling coating in the high humidity area.
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  Effect of graphene coating and surface texture on friction properties of single crystal silicon

  ZHOU Yihao, CHEN Wengang, CHENG Jiahao, YUAN Haoen, GUO Siliang, WEI Beichao, Dongyang Li

  Journal of Functional Materials. 2024, 55(5): 5222-5231. https://doi.org/10.3969/j.issn.1001-9731.2024.05.031

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  In order to enhance the friction and wear resistance of single-crystal silicon, a surface texturing process was employed using ultraviolet laser machining. Various surface textures were etched onto the single-crystal silicon, followed by the deposition of graphene and graphene oxide coatings. The frictional properties of the single-crystal silicon under dry friction conditions were investigated using an MRTR-1 friction and wear testing machine. Microscopic morphology and wear tracks of the single-crystal silicon samples were observed using optical microscopy and scanning electron microscopy (SEM). The mass of the samples was measured using an electronic balance before and after the experiments to calculate the wear rate. The results indicate that surface-textured samples exhibited a reduction in wear rate to varying degrees, with wear rates decreasing from 0.012 to below 0.008 compared to untextured samples. Some of the surface-textured samples were able to lower the friction coefficient to values below 0.14. The primary wear mechanisms of the single-crystal silicon samples were abrasive wear and adhesive wear. The combination of surface texturing, which acts to collect wear debris and store coating fragments, along with the unique physical properties of graphene-based coatings, effectively improved the frictional performance of single-crystal silicon, significantly reducing wear rates and protecting the material.
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  TX-100 assisted electrodeposition of nickel oxide electrochromic thin films

  ZHANG Siyao, WANG Meihan, LI Zijia, ZHANG Jun

  Journal of Functional Materials. 2024, 55(5): 5232-5236. https://doi.org/10.3969/j.issn.1001-9731.2024.05.032

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  Porous NiO nanofilms with different surface morphologies have great potential for application in the field of electrochromism. This article reports the preparation of porous NiO thin films by adding non ionic surfactant TX-100 to NiSO₄ · 6H₂O aqueous solution. The morphology and composition of NiO thin films without surfactants and with TX-100 were characterized using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Electrochemical workstation and UV visible spectrophotometer were used to test the electrochromic performance. The results indicate that the addition of TX-100 can reduce the pore size and make the surface of porous NiO films denser, providing a larger specific surface area and more active sites, improving optical properties, and to some extent enhancing the cyclic stability of NiO films. At the wavelength of 600 nm, the maximum light modulation amplitude of the NiO film with TX-100 added is 68.88%, which is 8.58% higher than that of the NiO film without surfactant added.