30 August 2024, Volume 55 Issue 8

    

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  Journal of Functional Materials. 2024, 55(8): 0-0.

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Focuses & Concerns
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  Preparation and photocatalytic performance of Ce doped ZnO nanocomposites

  FEI Shanshan

  Journal of Functional Materials. 2024, 55(8): 8001-8007. https://doi.org/10.3969/j.issn.1001-9731.2024.08.001

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  ZnO nanocomposites with different molar ratios of Ce doping were prepared by hydrothermal method using ZnO as a photocatalyst and rare earth element Ce as an additive phase. The effect of Ce doping molar ratio on the lattice structure, microstructure and photocatalytic performance of ZnO nanocomposites was studied using methyl orange (MO) dye as the degradation object. The results showed that the Ce-ZnO nanocomposites prepared were all hexagonal wurtzite structured with an irregular granular appearance. Ce doping increased the surface roughness of ZnO. After Ce doping, no new products were produced in ZnO,      which did not affect the structure of ZnO. As the Ce doping molar ratio increased, the specific surface area of Ce ZnO gradually increased, the absorption edge first increased and then decreased, the bandgap width first decreased and then increased, and the photoluminescence intensity first decreased and then increased. The specific surface area of 0.6%Ce-ZnO reached 33.91 m²/g, with a maximum absorption edge of 394 nm and a minimum bandgap width of 2.97 eV, corresponding to the lowest photoluminescence intensity. The photocatalytic degradation test showed that with the increase of Ce doping molar ratio, the photocatalytic degradation of MO by Ce-ZnO first increased and then decreased. The degradation rate of MO by 0.6%Ce-ZnO reached its maximum value of 95.36% at 180 min. Under strong acidic or alkaline conditions, it wasn't conducive to the progress of photocatalytic reactions. Under weak acidic conditions with a pH value of 5, the degradation rate of MO by 0.6%Ce-ZnO reached a maximum of 99.16%. When the 0.6%Ce-ZnO photocatalyst was reused for 5 times, the degradation rate of MO still exceeded 70%, indicating good usage stability and economic benefits.
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  Preparation and properties of phase change capsules with aminated dense silica shell layers

  CHEN Haoxin, MA Yanqi, CHEN Ying, SHENG Xinxin

  Journal of Functional Materials. 2024, 55(8): 8008-8015. https://doi.org/10.3969/j.issn.1001-9731.2024.08.002

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  Phase change nanocapsules (NEPCM) with n-octadecane (C₁₈) phase change material as the core material and silica (SiO₂) as the shell material were prepared by sol-gel method. A silane coupling agent, 3-Aminopropyltriethoxysilane (APTES), was added to functionalize the SiO₂ surface. In addition, the addition of APTES promoted the hydrolysis and condensation of Tetraethyl orthosilicate (TEOS) to form a dense SiO₂ shell layer. The effects of different core/shell mass ratios on the microscopic morphology and phase change enthalpy of NEPCM were investigated. Meanwhile, the properties of NEPCM, such as thermal cycling stability, leakage prevention, thermal stability, and temperature regulation of the interior of the building, were also studied in detail. The results showed that the phase change enthalpy of NEPCM changed with the change of core/shell mass ratio. At the core/shell mass ratio of 1/1.3, the phase change enthalpy of the prepared nanocapsules was the highest, reaching 140.57 J/g, with an encapsulation rate of 61.6%. Meanwhile, due to the protection of dense SiO₂ shell material, NEPCM had good leakage prevention compared with pure C₁₈. Its enthalpy only decreased by 0.13% after 150 heating-cooling cycles, which exhibited excellent thermal cycle stability and durability. In addition, when NEPCM was used in building thermal management, it effectively delayed the time for the indoor temperature to reach the peak temperature by 385 s and reduced the peak temperature by 9 ℃, which indicated that NEPCM had excellent thermal storage and thermoregulation performance. Meanwhile, the addition of APTES functionalized the NEPCM shell, and the efficient interactions between the surface amino groups and the functional groups of the organic polymer provided a broad application prospect for the efficient preparation of nanocomposites.
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  Preparation and ultrasound-assisted antibacterial properties of barium titanate nanorod arrays on titanium

  SUN Menglin, ZHANG Xiangyu

  Journal of Functional Materials. 2024, 55(8): 8016-8020. https://doi.org/10.3969/j.issn.1001-9731.2024.08.003

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  Postoperative bacterial infection of titanium implants is a common clinical complication. In this paper, arrays of oxygen-deficient barium titanate nanorods (BaTiO_3-x) were constructed on the Ti surface by hydrothermal and annealing treatments. The synthesis of BaTiO₃ nanorods was confirmed using scanning electron microscopy, transmission electron microscopy, and X-ray diffractometry, and the presence of oxygen vacancies was confirmed using X-ray photoelectron spectroscopy. The reactive oxygen species (ROS) generation ability of BaTiO_3-x nanorod arrays under ultrasound was verified using methyl violet (MV) as a trapping agent. The results show that BaTiO_3-x nanorod arrays can effectively generate hydroxyl radicals (·OH) under ultrasonic (US) irradiation. Antibacterial experiments were conducted with Staphylococcus aureus (S. aureus), and the antibacterial capacity of BaTiO_3-x nanorod arrays under US was investigated by the plate spread method. The results showed that the antibacterial rate of BaTiO_3-x against S. aureus reached 90.92% after 15 min of US irradiation. This study provides ideas for the preparation of antimicrobial coatings on titanium implant surfaces and lays the foundation for expanding US-responsive antimicrobial coatings.
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  Effect of Ti on the properties of Zr₅₅Cu₃₀Al₁₀Ni₅ amorphous alloy

  LI Chunling, LI Shaobing, LI Xiaocheng, LI Chunyan, KOU Shengzhong

  Journal of Functional Materials. 2024, 55(8): 8021-8026. https://doi.org/10.3969/j.issn.1001-9731.2024.08.004

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  The effects of Ti addition on the thermal stability and mechanical properties of Zr₅₅Cu₃₀Al₁₀Ni₅ based alloy were studied. The results show that Zr₅₅Cu₃₀Al₁₀Ni₅ can be improved by adding an appropriate amount of Ti element. The thermal stability and amorphous forming ability of Zr₅₅Cu₃₀Al₁₀Ni₅ amorphous alloy. With the increase of Ti element content ( x=0,0.5,1,1.5,2,2.5 ), the thermal stability of Zr₅₅Cu₃₀Al₁₀Ni₅ amorphous alloy increases first and then decreases. When x=2, the amorphous forming ability of the amorphous alloy is the strongest. The proper addition of Ti is also beneficial to improve the hardness, compressive fracture strength and plastic deformation ability of Zr₅₅Cu₃₀Al₁₀Ni₅ sample. When x=2, the hardness of the amorphous alloy reaches 533.56. With the increase of Ti element content, the strength and plasticity of the amorphous alloy increase first and then decrease. When x=0.5, the breaking strength of the amorphous alloy is 2 111 MPa, and the plasticity is 5.02%, which is 1.8 times the plasticity of the amorphous alloy without Ti element.
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  Preparation of nanowire α-MnO₂ electrode materials and the study of electrocatalytic performance

  CHEN Jian, CHEN Qinglun, HAN Ning, HE Lizi

  Journal of Functional Materials. 2024, 55(8): 8027-8033. https://doi.org/10.3969/j.issn.1001-9731.2024.08.005

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  The manganese dioxide electrode material was prepared by hydrothermal method using KMnO₄ and MnCl₂·4H₂O as raw materials. The microstructure of the material was observed by SEM and XRD, and the crystal shape was determined. The ORR electrocatalytic performance of manganese dioxide as electrode material was studied by discharge test and electrochemical test. The results show that homogeneous nanowire α-MnO₂ can be prepared when the hydrothermal reaction temperature is 180 ℃ and the molar ratio of KMnO₄:MnCl₂·4H₂O is 2.5:1. The polarization current density of the air cathode prepared by α-MnO₂ as catalyst reaches 76.15 mA/cm² at the polarization voltage of 1.0 V. It also has the smallest impedance, indicating that the resistance of oxygen reduction reaction is the least. At the current density of 10, 20, 30 and 40 mA/cm², the discharging voltage is 1.64, 1.49, 1.36 and 1.23 V, respectively, and the discharge performance is improved by about 10% compared with that of 5% platinum carbon catalyst.
Review & Advance
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  Research progress of waste rubber modified cement-based materials

  TAO Chunyan, YANG Zhiquan, ZHANG Cong, ZHU Honglin

  Journal of Functional Materials. 2024, 55(8): 8034-8042. https://doi.org/10.3969/j.issn.1001-9731.2024.08.006

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  Rubber particles have good energy absorption and deformation ability. The incorporation of rubber particles into cement base can effectively improve the toughness of the material, and enhance the freezing resistance, cracking resistance, impact resistance and other properties of cement base. However, because rubber particles are a kind of hydrophobic substance, the interface bonding force between rubber and cement slurry is weak, and the strength of cement-based materials is decreased. Therefore, chemical and physical modification of rubber cement-based materials is studied. The results show that the modified rubber can enhance the properties of cement-based materials in two ways. First, the modifier can improve the hydrophilic of rubber by dissolving the impurities on the surface of rubber particles and forming a film on the surface. Second, the modifier reacts with the hydration product to form an effective chemical cross-link, so that the rubber particles form a close connection with the cement slurry. At the same time, it is found that rubber particles and fiber polymers have synergistic effect on the strengthening and toughening of cement-based materials.
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  Recent progress on electrocatalytic water splitting over metal-organic framework based- and derived-catalysts

  ZHOU Yudie, PEI Liujun, JIN Kaili, ZHANG Xin'er, WANG Jiping

  Journal of Functional Materials. 2024, 55(8): 8043-8053. https://doi.org/10.3969/j.issn.1001-9731.2024.08.007

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  Electrocatalytic water splitting exhibits outstanding advantages for solving the critical problems of clean energy shortage and environmental pollution. Electric driven water splitting is a promising strategy for producing clean and renewable hydrogen. Metal-organic frameworks (MOFs) and their derivatives are considered as ideal porous materials for electrocatalytic H₂ production, resulting from their tailorable structure, ultra-large surface area, and design flexibility. This review starts with the reaction principle of electrocatalytic water splitting, relevant factors that determine the electrocatalytic activity, and then summarizes and exemplifies the recent progress in the development of MOFs based- and derived-electrocatalysts for water splitting. Finally, we highlighted the many challenges exist in the water splitting field, and proposed some perspectives of MOFs based- and derived-electrocatalysts for H₂ production from water splitting.
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  Research progress of high performance layered NH₄V₄O₁₀ materials in electrochemical energy storage

  TANG Han, LUO Hongyu, HUANG Tao, XU Xiaoqin, CHAO Feiyang, LUO Ping

  Journal of Functional Materials. 2024, 55(8): 8054-8065. https://doi.org/10.3969/j.issn.1001-9731.2024.08.008

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  The layered vanadium oxide electrode material has a series of advantages such as high capacity, considerable high temperature performance, low cost and good safety, and is one of the alternative electrode materials for the next generation of high-performance secondary ion batteries. Although the energy storage performance of layered vanadium oxide electrode materials is continuously improving, the problem of poor structural stability of layered vanadium oxides during the cycling process has not been solved. The layered NH₄V₄O₁₀ material has been widely concerned and applied because of its special structural stability. In this paper, the electrochemical performance and energy storage mechanism of layered NH₄V₄O₁₀ materials in different types of ion batteries are systematically summarized and discussed, and the optimization strategy of NH₄V₄O₁₀ materials is classified and expounded. Finally, the development prospect of layered NH₄V₄O₁₀ materials is proposed, which provides new insights for further improving its electrochemical properties.
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  Research progress on preparation and properties of V/Nb-based alloy hydrogen separation membranes

  LI Zilai, ZHU Yifan, YANG Bo, SHI Xiaobin

  Journal of Functional Materials. 2024, 55(8): 8066-8074. https://doi.org/10.3969/j.issn.1001-9731.2024.08.009

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  At present, the development of renewable energy has become an important part of the global sustainable energy strategy. Hydrogen is the cleanest energy in the world and is considered to be the most promising alternative energy. Industrial hydrogen production contains a large number of impurities. Therefore, the purification of hydrogen is an indispensable part of the use of hydrogen energy. Palladium and its alloy membranes are the most common materials for hydrogen separation, but they are too expensive and insufficient in yield. We need to find new hydrogen separation membranes with excellent performance. It is found that the hydrogen permeability coefficient of V/Nb and its alloy membranes is much larger than that of Pd, and the cost is lower than that of Pd metal, which is the best hydrogen separation membrane material to replace Pd metal. At present, there are many studies on V/Nb-based alloy membranes. This paper introduces the principle of hydrogen permeation of alloy membranes, the preparation methods of hydrogen separation membranes and their advantages and disadvantages, as well as the research status of V/Nb-based alloys in recent years, and looks forward to the future research and development trend of hydrogen separation membranes.
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  Research progress on carbon-based low-temperature NH₃-SCR catalysts for smelting flue gas denitrification

  MENG Hao, SHE Yuan, MIAO Hongsheng, LI Jixuan, SHEN Zhenghua, XING Xiangdong, ZHANG Zhaohun

  Journal of Functional Materials. 2024, 55(8): 8075-8082. https://doi.org/10.3969/j.issn.1001-9731.2024.08.010

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  At present, the NH₃-SCR catalyst used in smelting flue gas treatment and denitrification has shortcomings such as narrow operating temperature window, low catalytic activity at low temperature (120 °C), and easy poisoning, which limits its wide application. Therefore, the development of catalysts with low temperature efficiency, good anti-toxicity performance and strong stability has become the focus of current research. Carbon-based catalysts have attracted much attention due to their wide range of sources, strong adsorption performance, and good catalytic activity, and have broad prospects in denitrification. Based on the latest research progress of carbon-based low-temperature NH₃-SCR catalysts, the factors influencing the denitrification activity of catalysts were introduced from the aspects of carbon-based catalyst materials, addition of active components, acid or base modification, resistance to SO₂ and H₂O poisoning, and the NH₃-SCR reaction mechanism of carbon-based catalysts is analyzed, and the direction of carbon-based catalysts with excellent denitrification performance and anti-poisoning performance of low-temperature NH₃-SCR is proposed.
Research & Development
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  Effect of Co element addition on soft magnetic properties of FeSiBCuNb amorphous nanocrystalline alloy

  GUO Qi, LI Xiaohan, WANG Zhicheng, JIN Yaxu, ZHANG Kewei, HU Jifan

  Journal of Functional Materials. 2024, 55(8): 8083-8089. https://doi.org/10.3969/j.issn.1001-9731.2024.08.011

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  Amorphous alloy ribbons with nominal compositions of Fe_80.5-xCo_xSi_3.5B_13.5Cu₁Nb_1.5(x=0, 3, 5, 7, 9) were prepared by melt spinning technique, which is used to investigate the effects of Co content and annealing temperature on the soft magnetic properties and organization of amorphous nanocrystalline alloys. The Fe_75.5Co₅Si_3.5B_13.5Cu₁Nb_1.5 quenched amorphous alloy under annealing temperature of 510 °C form an amorphous/nanocrystalline composite structure consisting of an amorphous matrix and nanograins and have excellent comprehensive soft magnetic properties, which contain the grain size D=13.5 nm, low coercivity H_c=2.5 A/m and high saturation magnetic induction intensity B_s=1.59 T. The magnetic domain structures on the surface of the ribbons at different annealing temperatures were observed by magnetic-optical kerr (MOKE) microscope. When the annealing temperature is 510 °C and the Co content x is 5, the internal stress release relative completely, which leads to the uniform nanocrystalline microstructure and straight clearly striped domains, and the change of the magnetic domains corresponded to the change of H_c.
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  Molecular dynamics study of the high-temperature melt and amorphous formation capacity of Ni-Zr alloys

  ZHAO Zeqiong, PAN Shaopeng, NIU Xiaofeng

  Journal of Functional Materials. 2024, 55(8): 8090-8095. https://doi.org/10.3969/j.issn.1001-9731.2024.08.012

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  In this paper, the atomic structure and thermodynamic property aspects of the high-temperature melts of Ni-Zr alloys with different compositions are investigated using molecular dynamics simulations to analyze the factors affecting their amorphous formation ability. By observing the change of the average atomic volume with temperature during the cooling process and the change of the proportion of amorphous structure in the visual analysis of the configuration at 300 K, it is found that the amorphous formation ability of Ni-Zr alloy shows a significant decrease and then rebound in the interval of 60%-90% of Ni content. The thermodynamic parameters such as mixing enthalpy, mixing entropy, and mixing free energy did not show significant correlation with the amorphous formation ability, and the change of the second-order partial derivative of the mixing free energy reflected that the change of the thermodynamic factors significantly affected the amorphous formation ability. The structural parameters such as two-body distribution function and coordination number, which are closely related to the amorphous formation ability, show a weak correlation, and the Warren-Cowley parameter and bond length analysis reveal that the variation of Ni-Zr bond shows the same trend with the amorphous formation ability. This study is helpful to deepen the understanding of the relationship between high-temperature melting and amorphous formation ability of alloys.
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  Preparation and performance optimization of CA-SA@SiO₂ microencapsulated phase change materials for construction

  LIU Fengli, LI Qiaoli, BAI Jianxia, WANG Yaguang

  Journal of Functional Materials. 2024, 55(8): 8096-8102. https://doi.org/10.3969/j.issn.1001-9731.2024.08.013

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  In order to solve the problems that the phase change temperature of fatty acid is higher than the building application requirements, and the existing fatty acid microencapsulated phase change materials have low encapsulation rate and low latent heat, the binary phase change material capric acid-stearic acid was first prepared in this paper. The thermal properties results show that the phase change temperature and latent heat of phase change of capric acid-stearic acid are 24.28 ℃ and 178.21 J/g, which meet the building application requirements. On this basis, CA-SA@SiO₂ MPCM (microencapsulated phase change materials) with different core wall mass ratio were prepared by sol-gel method of capric acid-stearic acid with silica as the outer wall material. Micro morphology, particle size, thermal properties, chemical stability and anti-seepage performance of the MPCM were characterized. The results show that core wall mass ratio directly affects the properties of the MPCM. The optimal core wall mass ratio is 50: 50. The MPCM is spherical, smooth and dense, the particle size ranges from 2 to 500 μm, and the mainly concentrated below 50 μm. The wall material covers the core material only by physical action, and the thermal stability of phase change core material can be improved after microencapsulation. Moreover, the thermal decomposition temperature is significantly higher than the use environment of the wall material. The equilibrium leakage rate is only 4.53%, and the phase change temperature is 24.63 ℃, which is within the comfort range of human body. The latent heat of phase change and encapsulation rate is 138.16 J/g and 77%, respectively. It effectively solves the problems of high phase change temperature, low encapsulation rate and low latent heat of phase change, and provides a new material compatible with suitable temperature zone, high energy efficiency density and high stability for phase change energy storage building envelopes.
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  MOF-derived Fe-N-Celectrocatalyst for efficient oxygen reduction reactions

  ZHANG Jingtao, WANG Kui, LIU Le, REN Jie, YANG Haowei, YAN Xiaoli

  Journal of Functional Materials. 2024, 55(8): 8103-8110. https://doi.org/10.3969/j.issn.1001-9731.2024.08.014

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  Due to the large consumption of traditional energy and environmental pollution, it is more and more important to explore efficient and clean new energy sources. Zinc-empty battery has been widely concerned as a kind of green and clean energy, but its slow cathodic oxygen reduction (ORR) reaction limits its large-scale application. Therefore, it is very important to develop an efficient and green economic non-precious metal catalyst for oxygen reduction reaction. In this paper, metal-organic framework (MOF) is used as the precursor, Fe-N doped carbon electrocatalyst (Fe-N-C) was synthesized by high temperature pyrolysis. Fe-N-C catalyst can avoid the aggregation and dissolution of metal atoms due to its strong metal-nitrogen coordination structure, so that the metal atoms are uniformly dispersed on the nitrogen-doped carbon carrier, and achieve high ORR performance. The prepared Fe-N-C-2 catalyst has abundant pore structure and a large number of Fe-N_X active sites. The half-wave potential is 0.91 V in alkaline electrolyte and 0.75 V in acidic electrolyte. At the same time, it is applied to zinc-air batteries with an open circuit voltage of up to 1.47 V and a power density of 163.1 mW/cm². This strategy provides a promising approach for designing two-dimensional structures to construct high-performance electrocatalysts.
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  Study on the extraction of corn straw cellulose and its effect on asphalt performance

  CHENG Peifeng, ZHANG Xue, LI Yiming, Wang Yanghongli

  Journal of Functional Materials. 2024, 55(8): 8111-8119. https://doi.org/10.3969/j.issn.1001-9731.2024.08.015

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  As an important part of straw, cellulose is the key to determine its mechanical strength. If applied to asphalt pavement, it is expected to improve the performance of the pavement and solve the problems of straw degradation and aging in the pavement. Firstly, the central composite design-response surface method was used to explore the influence of the extraction process of cellulose in straw on the performance of asphalt, and the optimum extraction process of cellulose was determined. Secondly, the effects of cellulose on high temperature stability, low temperature crack resistance and storage stability of asphalt were studied by rheological property test, segregation test and infrared spectrum test. The results show that the cellulose extracted under the condition of NaOH concentration of 2.5% and HNO₃ concentration of 4.3% has the best effect on improving the physical properties of asphalt. At the same time, the incorporation of corn straw cellulose improves the high temperature stability, low temperature crack resistance and deformation resistance of asphalt under high-speed vehicle load shear. When the content of corn straw cellulose is 7%, the comprehensive performance of asphalt is the best, and there is no serious segregation phenomenon. Compared with matrix asphalt, the high temperature continuous grading temperature (T_LH) of cellulose content at 7% is increased by 13 °C, and the low temperature performance is increased by 49.3%. In addition, cellulose only bonded with each other by physical enhancement to improve the performance of asphalt, and no chemical reaction occurred.
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  Preparation and properties of W-VO₂@SiO₂ thermotropic phase change materials

  WU Jiao, MENG Xiaorong, LIU Danghao, RAO Rui

  Journal of Functional Materials. 2024, 55(8): 8120-8127. https://doi.org/10.3969/j.issn.1001-9731.2024.08.016

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  In order to enhance the stability of VO₂(M) while reducing its phase transition temperature, the hydrothermal synthesis process of VO₂(M) was optimized in this paper using vanadium pentoxide (V₂O₅) as the vanadium source and hydrazine hydrate (N₂H₄·H₂O) as the reducing agent. By doping W⁶⁺ and depositing SiO₂ on the surface, stability is improved while phase transition performance is guaranteed. The results show that there is a VO₂(A)-VO₂(M) mutual transformation process during the hydrothermal process, and the adjustment of the hydrothermal reaction conditions can lead to VO₂(M) with good crystallinity, a phase transition temperature of 66.3 ℃ and a thermal hysteresis width of 9.2 ℃. With the increase of W doping amount (expressed by atomic fraction), the Tc of W-VO₂(M)@SiO₂ decreases, and ΔT=7.2 ℃ when W doping amount is 1.0 at%. After accelerated test, the VO₂ of W-VO₂(M)@SiO₂ composite still exists as V⁴⁺, which has good thermal stability.
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  First-principles study on the regulation mechanism of B doping on the photocatalytic performance of Monolayer g-C₃N₄

  TAN Xiujuan, YANG Shuo, ZHANG Xuyang, ZHANG Xuyun

  Journal of Functional Materials. 2024, 55(8): 8128-8134. https://doi.org/10.3969/j.issn.1001-9731.2024.08.017

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  Photocatalytic technology is driven by solar energy and has a very broad application prospect in the fields of environmental governance and hydrogen energy preparation. g-C₃N₄ is a promising green photocatalyst, but its limited visible light response range and wide energy gap limit the further improvement of its photocatalytic performance. Non-metallic element doping is an effective method to improve the photocatalytic activity of g-C₃N₄. In this paper, the influence mechanism of B element doping on the photocatalytic activity of g-C₃N₄ was studied by first-principles calculation, and the electronic structure and optical properties before and after doping were investigated. The results show that the H site on the g-C₃N₄ (001) surface is the most stable site for B atom doping, and the doping energy is - 7.81 eV. The addition of B element reduced the energy gap of g-C₃N₄ (001) surface from 1.468 eV to 0.732 eV, and the work function decreased from 4.055 eV to 3.108 eV and improved the reactivity of surface C atoms, so that the photocatalytic activity of g-C₃N₄ (001) surface was effectively improved. The study of optical properties shows that the addition of B element makes the g-C₃N₄ (001) surface have an obvious “red shift” phenomenon, which improves the light response ability of the surface and obtains higher photocatalytic ability.
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  Synthesis of Mo₂Al_1-xB₂ (MBene) by hydrofluoric acid method and electrochemical properties study

  CHEN Yizhao, MAO Tingting, CUI Shuaifu, LIAO Songyi, MIN Yonggang

  Journal of Functional Materials. 2024, 55(8): 8135-8142. https://doi.org/10.3969/j.issn.1001-9731.2024.08.018

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  The large-scale development of MBene prepared from bulk ternary metal borides (MAB phases) as a novel 2D material has received increasing attention. However, its preparation strategy has been limited. In this work, Mo₂Al_1-xB₂ (MBene) 2D material with a typical accordion structure was successfully synthesized through a detailed study of the optimal preparation process conditions for etching the Al layer from MoAlB using the hydrofluoric acid method. In addition, X-ray diffraction and XPS were used to analyze in detail the crystal structure and surface chemical state of MBene. The micro-morphology of MBene has been analyzed by scanning electron microscopy in combination with energy spectroscopy. The results showed that a clear accordion layer-like structure was present in the MBene synthesized by etching at 60 ℃ for 72 h (referred to as 60-72 h). When used as anodes for LIBs, the 60-72 h samples exhibited excellent electrochemical performance, with a reversible specific capacity of 228.0 mAh/g after 500 cycles at a current density of 1 A/g. The excellent electrochemical performance is mainly attributed to the good electrical conductivity and fast Li-ion diffusion channel of the 2D MBene, resulting in a high pseudo-capacitance effect. The pseudo-capacitance contribution reaches ~86.7% at a scan rate of 2 mV/s.
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  Synthesis and oxygen reduction performance study of bimetallic Co/Fe-N-C catalysts

  ZHANG Jun, LONG Tao, LI Guanghuan, HOU Yaqing, XU Chunqian, WU Yun

  Journal of Functional Materials. 2024, 55(8): 8143-8147. https://doi.org/10.3969/j.issn.1001-9731.2024.08.019

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  Proton exchange membrane fuel cells (PEMFCs) have not been applied on a large scale due to their expensive platinum-based catalysts and scarce resources. Metal-nitrogen doped carbon (M-N-C, M=Fe, Ni, Mn, Co) monoatomic catalysts have been considered as promising catalysts for oxygen reduction reaction (ORR), among which Fe-N-C catalysts have high catalytic activity for oxygen reduction in acidic media with low cost. However, most of the reported Fe-N-C catalysts are still not as good as the platinum-based catalysts in fuel cells and have poor stability in acidic media rather than being widely used. Here, we reported a method for constructing Fe-N_x and Co-N_x catalysts on a stable and highly graphitic NC support pyrolyzed from ZIF-67. The obtained Co/Fe-N-C diatomic catalyst achieved an onset potential (E_oneset) of 0.96 V (vs. RHE) and a half-wave potential (E_1/2) of 0.79 V (vs. RHE), with more remarkable stability and superior ORR activity compared with the Fe-N-C and Co-N-C catalysts, providing a new insight into enhance the activity and durability of Fe-N-C catalysts.
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  Preparation and properties of graphene oxide reinforced porous magnetic natural rubber

  WANG Yan, GAO Miao, MA Xunbo, XIE Yongqiang

  Journal of Functional Materials. 2024, 55(8): 8148-8154. https://doi.org/10.3969/j.issn.1001-9731.2024.08.020

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  Magnetic rubber has been widely used in military and medical fields because of its excellent properties of magnetic-induced damping and magnetic-induced mechanics. However, the low magnetorheological effect and the contradiction between magnetorheological effect and mechanical properties of magnetic rubber has greatly hindered its engineering application. Therefore, porous magnetic natural rubber (PMR) with GO content of 0 phr, 0.5 phr, 0.8 phr, 1.1 phr and 1.4 phr were prepared by mechanical blending method. The micro-morphology, magnetic properties, magnetic rheological properties and mechanical properties of PMR were studied systematically. The results show that PMR has a circular closed porous structure, and the matrix elastic modulus of the structure is low, which is conducive to the magnetic particles in the matrix to move along the direction of the magnetic field under the action of the magnetic field, so that PMR has the high magnetorheological effect. With the increase of GO content, the tensile strength of PMR first increases and then decreases. When GO content is 0.8 phr, the hole wall breakage of PMR is the least, the tensile strength is the largest (5.02 MPa) and the magnetorheological effect is higher (422%). Proper amount of GO doping not only improves the pore structure of PMR, but also improves its mechanical properties and plays the role of reinforcing agent. This study provides a new idea for designing and preparing magnetic rubber with high magnetorheological effect and excellent mechanical properties.
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  The effect of Al doping on the preparation and soft magnetic properties of Fe based amorphous nanocrystalline alloys

  XUE Songjian, ZHU Qianke, CHEN Zhe, KANG Shujie , ZHANG Kewei

  Journal of Functional Materials. 2024, 55(8): 8155-8161. https://doi.org/10.3969/j.issn.1001-9731.2024.08.021

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  Component diversity is one of the important ways to improve the amorphous formation ability and soft magnetic properties of Fe based amorphous nanocrystalline alloys. Based on Nanomet alloy, this paper designs the composition through Fe based binary phase diagram and uses single roll strip casting method to prepare Fe₈₀(Al_xSi_y)_2.4B_12.6P₄Cu₁(x/y=0, 1/5, 1/2, 1/1, 2/1) alloy. The influence of x/y changes on the amorphous formation ability, thermal stability, and soft magnetic properties of the alloy is explored. The research shows that the increase of x/y ratio can enhance the initial crystallization temperature and amorphous formation ability of the alloy. When x/y=1, the amorphous formation ability of Fe₈₀(Al_xSi_y)_2.4B_12.6P₄Cu₁(x/y=0, 1/5, 1/2, 1/1, 2/1) alloy is higher, and the annealing temperature window is widened. After annealing at 500 ℃ for 1 min, it exhibits excellent soft magnetic properties, with coercivity of 1.27 A/m and magnetic permeability of 17551. Due to the Fe content remains unchanged, the doping of Al has a minor impact on the saturation magnetic induction of the alloy.
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  Research on the discharge performance of Mg-1Ge-1In magnesium-air battery anode

  YIN Ming, PANG Yaqi

  Journal of Functional Materials. 2024, 55(8): 8162-8169. https://doi.org/10.3969/j.issn.1001-9731.2024.08.022

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  This study proposes a strategy to regulate the microstructure of Mg-1Ge-1In alloy by using the difference in solid solubility of germanium and indium in magnesium. After homogenization annealing, the Mg₂Ge phase in the alloy exhibits a continuous network-like structure. The Mg-1Ge-1In alloy demonstrates exceptional anode discharge performance, encompassing a low corrosion rate of 2.48 mm/y, a discharge voltage of -1.70 V at a discharge current of 1 mA/cm², and a remarkable anode utilization efficiency of up to 59.49% after discharging at 10 mA/cm² for 1 h. In addition, under a discharge condition of 5 mA/cm², the Mg-1Ge-1In alloy maintains a stable voltage, accompanied by a layered peeling phenomenon on its surface. However, as the discharge current increases to 10 mA/cm², the discharge voltage undergoes some decay, accompanied by a decrease in discharge stability. The discharge activation mechanism of the Mg-1Ge-1In alloy is based on the galvanic effect of the Mg₂Ge phase and the oxidation-reduction cycle of In atoms. The discharge active sites originate from the continuous network interface between the Mg₂Ge phase and the magnesium matrix. The addition of In further enhances the activation of the magnesium matrix surface. The synergistic effect of these two factors ensures the stable and continuous progress of the discharge reaction.
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  Study on the micro-mechanism and optical properties of nitric oxide adsorption on graphene surface

  LUO Lei, ZHU Hongqiang, YIN Kaihui, WU Zebang, YUE Yuanxia, PAN Yicui, CHEN Jianjun, FENG Qing, YANG Ying

  Journal of Functional Materials. 2024, 55(8): 8170-8177. https://doi.org/10.3969/j.issn.1001-9731.2024.08.023

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  In this paper, the microscopic mechanism and optical properties of nitric oxide (NO) molecules adsorbed on the surface of graphene were studied theoretically by using the first principles of plane wave ultra-soft pseudopotential calculation method based on density functional theory. In order to obtain more accurate results, the effects of dispersion interaction, long-range electron correlation effect and Van der Waals force are taken into account. The exchange correlation functional of DFT-D and generalized step approximation of PBE is used to optimize the geometric structure. The plane wave ultra-soft pseudopotential method is used to describe the interaction between electron and ion. The Kohn-Sham equation and the energy functional are solved by self-consistent method. According to the three adsorption sites on the surface of graphene - top site, bridge site and vacancy site, the adsorption model of NO molecules on the surface of 14 kinds of graphene was constructed. The adsorption energy, Mulliken distribution, differential charge density, state density and optical properties of NO molecules adsorbed on graphene surface were calculated. The results show that NO molecules are easily adsorbed on the surface of single-O doped, single-N doped and O-N double-doped graphene by chemical adsorption. All three kinds of doping will form a new impurity level near the Fermi level of graphene, which will help the electronic transition and improve the optical properties of graphene. In the range of visible light 360-780 nm, the optical properties of NO molecules adsorbed by C-N bond bridge site on the surface of O-N double-doped graphene are the best, and the peak absorption coefficient and reflection coefficient of O-N double-doped graphene are increased by about 1.40 times and 1.84 times, respectively, compared with that of undoped graphene. This work deepens the understanding of the process of NO molecule adsorption on graphene surface and its microscopic mechanism, and provides theoretical support for the study of NO sensing based on graphene materials.
Process & Technology
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  Effect ofreduction degree of graphene oxide films on temperature sensing and electro heating properties

  LIU Na, CAO Chengcheng, TAO Ye, LI Huidong, YANG Liping, CHEN Zezhong

  Journal of Functional Materials. 2024, 55(8): 8178-8184. https://doi.org/10.3969/j.issn.1001-9731.2024.08.024

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  Due to outstanding advantages such as lightweight, good toughness, low cost and simple forming process, reduced graphene oxide (rGO) films have attracted considerable attention in temperature sensing and electro heating fields. In this study, the difference in the microstructure, bond types, mechanical and electrical properties of rGO films reduced at different temperatures are analysed to explore the influence of reduction degree on temperature sensing and heating performance of rGO films. The results indicate that oxygen-containing functional groups including C-O and C=O in graphene oxide (GO) films decrease dramatically at 200 ℃, and the main bonding type of carbon atoms transfers from C-C to C=C. When the reduction temperature rises to 600 ℃, rGO films still retain some oxygen-containing functional groups with a C/O ratio of 7.18, while the composition of rGO films reduced at 800 ℃ approaches to graphene. With the increase of reduction degree, electrical resistivity of rGO films shows a significant decrease. However, the outgassing of oxygen atoms disrupts the interlayer dense structure, leading to gradual reduction in tensile strength. At the reduction temperature of 600 ℃, the resistance-temperature curve exhibits excellent linear relationship with a temperature coefficient of resistance (TCR) value of -1.60×10^-3/℃ at room temperature. Under 24 V DC driving voltage, rGO films reduced at 600 ℃ and 800 ℃ reach 242 ℃ and 367 ℃, respectively. However, due to the loose and cracked interlayer structure, there happens a noticeable fluctuation in the heating temperature curve of rGO films reduced at 800 ℃. Therefore, rGO films reduced at 600 ℃ are proven to be more suitable for heating and temperature sensing.
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  Effect of different high temperature cooling methods on performance of concrete modified by graphene oxide

  YAN Shouxun, ZHANG Xiang, LEI Zhen, DONG Longhui, LI Song

  Journal of Functional Materials. 2024, 55(8): 8185-8192. https://doi.org/10.3969/j.issn.1001-9731.2024.08.025

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  In order to investigate the high-temperature performance of graphene oxide modified concrete and the effect of different cooling methods on concrete performance, FIB-SEM microscopic observation was performed on the benchmark group and the test group with 0.05% graphene oxide. The effects of natural cooling, immersion cooling, and spraying cooling at different high-temperature nodes on the concrete mass loss rate, mechanical characteristics of the samples, and uniaxial compressive stress-strain constitutive equation were studied. The results show that the peak stress and modulus of elasticity of the benchmark group and graphene group are gradually decreasing with the increase of heat treatment temperature, and the mass loss rate and peak strain are gradually increasing, but the graphene oxide improves the mechanical properties and high temperature resistance of concrete by refining the pore size and adjusting the microstructure of cement hydration products, and thus showing better mechanical properties. Different cooling methods have different effects on the mechanical properties, which are positively correlated with the cooling rate, i.e., immersion cooling > spraying cooling > natural cooling, and the uniaxial compressive stress-strain relationship can be described by the segmental equation.
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  Effect of heat treatment of pastes on the structure and properties of M-type strontium ferrites

  REN Xiangru, XI Yongtong, LUO Lin, ZHANG Yunchuan, LUO Xianfu, ZHONG Guangwei, MA Yilong

  Journal of Functional Materials. 2024, 55(8): 8193-8200. https://doi.org/10.3969/j.issn.1001-9731.2024.08.026

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  M-type strontium ferrite was prepared using the solid-phase method. The effects of ball milling time and additive content on the microscopic morphology, crystal structure, and magnetic properties of M-type strontium ferrite were investigated. The experimental results showed that the magnetic properties of the samples increased and then decreased with the increase of ball milling time. After 16 hours of ball milling, the sample demonstrates the most favourable magnetic properties, with H_c =140.9 kA/m, M_r =66.35 A·m²/kg, and (BH)_max=28.88 kJ/m³. Furthermore, the study on the additive content shows that the magnetic properties of the sample tend to increase initially and then decrease. When using CaCO₃ as the additive, the optimal addition amount is 1wt%, resulting in (BH)_max=29.36 kJ/m³. On the other hand, when using SiO₂ as the additive, the optimal addition amount is 0.2wt%, resulting in (BH)_max=34.63 kJ/m³, H_c=337.0 kA/m, and M_r=65.01 A·m²/kg. The experimental results demonstrate that adjusting the ball milling time and additive content can enhance the porosity of strontium ferrite, thereby improving its magnetic properties.
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  Improvement of thermoelectric performance of tetrahedrite Cu₁₂Sb₄S₁₃ by energy band regulation and point defect engineering

  YANG Chao, LI Shiye, WANG Jie, ZHANG Jin, CHENG Shixing, JIANG Shuyin

  Journal of Functional Materials. 2024, 55(8): 8201-8207. https://doi.org/10.3969/j.issn.1001-9731.2024.08.027

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  A series of Cu_12-xGa_xSb₄S₁₃ (x=0,0.05,0.1 and 0.15) samples were synthesized through high-temperature melting method and heat annealing technique combined with spark plasma sintering (SPS). The phase composition, band structure and thermoelectric properties of the samples were characterized and analyzed. The results show that Ga doping can introduce impurity band near the conduction band, acting as donor energy level, thus reducing the hole carrier concentration and increasing the Seebeck coefficient of the samples. At the same time, with the increase of Ga doping content, the thermal conductivity of Ga-doped samples decreases significantly. When the temperature is 770 K, the thermal conductivity of Cu_11.85Ga_0.15Sb₄S₁₃ sample decreases to 1.20 W/mK, which is 29% lower than that of the intrinsic material. Finally, the maximum ZT value of 0.7 is achieved for Cu_11.9Ga_0.1Sb₄S₁₃ sample at 770 K, a 40% improvement over the intrinsic Cu₁₂Sb₄S₁₃.
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  The quality and stability of CdHgTe/ZnTe with different ligands

  LIU Xijing, ZHENG Han, ZHANG Jiaquan

  Journal of Functional Materials. 2024, 55(8): 8208-8213. https://doi.org/10.3969/j.issn.1001-9731.2024.08.028

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  In this paper, strong photoluminescence near-infrared (NIR)-emitting CdHgTe/ZnTe nanocrystals were synthesized using different thiol ligands 3-mercaptopropionic acid (MPA), L-Cysteine (L-Cys), and glutathione (GSH). This research utilizes a novel temperature-controlled microwave-assisted methodology via freezing-thawing (F-T) progress to synthesize superior CdHgTe/ZnTe core-shell nanocrystals. The study reveals that the photoluminescence quantum yields are markedly influenced by the synthesis parameters, including component types, concentration levels, and the choice of surface ligands. Different technologies including UV-vis, photoluminescence spectroscopy, transmission electron microscopy, powder X-ray diffraction and X-ray photoelectron spectroscopy were employed to characterize the as-prepared nanocrystals. The results showed that enhanced photoluminescence yield is primarily due to the low lattice mismatch (6%) between the CdHgTe core and the ZnTe shell materials, which significantly boosts the fluorescence stability and presents a low density of defects in the shell. Furthermore, the core-shell CdHgTe/ZnTe nanocrystals were successfully applied for fixed cells. The biocompatible ligands capped nanocrystals with bright fluorescence showed negligible photobleaching in fixed cells even after 40 min UV irradiation. This indicates that core-shell nanocrystals capped with L-Cysteine and Glutathione possess remarkably high resistance to photobleaching and oxidation.
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  Ce dielectric enhanced WO₃ for application in triboelectric nanogenerator

  REN Yuanhang, XIE Yuanhang, ZHANG Yuhan, CHEN Jie, WAN Buyong, YANG Xiaohong

  Journal of Functional Materials. 2024, 55(8): 8214-8220. https://doi.org/10.3969/j.issn.1001-9731.2024.08.029

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  WO₃ and Ce-doped WO₃ (Ce:WO₃) nanoparticles were prepared by a hydrothermal method, and the Ce:WO₃ filled polydimethylsiloxane (PDMS) composite membranes were prepared. The influence of Ce doping on the dielectric properties of WO₃ particles and composite membranes were studied. And the Ce:WO₃/PDMS composite membranes was used as the friction layer of TENG (Ce:WO₃/PDMS-TENG) to study the effect of Ce dielectric enhancement of WO₃ on the output performance of TENG. The results indicate that the Ce-doping has no effect on the crystal structure and grain size of WO₃ nanoparticle, but the relative dielectric constant of WO₃ can be effectively increased from 9.99 to 20.83. Compared with the pure PDMS-TENG, the output performance of 1.5 mol% Ce:WO₃/PDMS-TENG was significantly improved, with an increase in the open-circuit voltage from 114 V to 279 V, the short-circuit current from 1.38 μA to 7.02 μA, and the transferred charge from 35.7 nC to 99.7 nC.
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  Effect of streamlined laser texture on friction and wear properties of Ti6Al4V alloy

  WEI Beichao, CHEN Wengang, GUO Siliang, YUAN Haoen, ZHOU Yihao, CHENG Jiahao, CHEN Hongyan, LIU Wei

  Journal of Functional Materials. 2024, 55(8): 8221-8229. https://doi.org/10.3969/j.issn.1001-9731.2024.08.030

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  Ti6Al4V alloy has become the preferred material for key components in machinery due to its many excellent mechanical properties, however, the defects of Ti6Al4V alloy such as low hardness and poor wear resistance limit its wider application in the mechanical field. In view of this, the laser texture technology was used to prepare a streamlined symmetrical texture on the surface of Ti6Al4V alloy, and the effects of laser streamline texture with different parameters on the wear resistance of Ti6Al4V alloy material were studied by friction test system under oil lubrication conditions. SEM and LICHEN electronic balance equipment were used to characterize the wear scar morphology and wear amount on different sample surfaces. The experimental results show that when the texture length is 400 μm and the depth is 600 μm, the friction coefficient and wear of the sample are smaller, and the friction reduction effect is better. In addition, ANSYS Workbench software was used to simulate the flow characteristics of lubricating oil on the texture surface, and it was found that the decrease of friction coefficient in the experiment was mainly caused by the increase of oil film pressure caused by the change of flow velocity and flow direction of lubricating oil under the action of texture. The increase of oil film pressure can improve the bearing capacity of the oil film and effectively reduce the friction coefficient of the friction pair.
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  Research on the relationship between heat treatment and mechanical properties of 6082 aluminum alloy

  GAO Cong, LAN Sha, YANG Qin, TAN Zhaozhao, LI Jia, LI Tiehu

  Journal of Functional Materials. 2024, 55(8): 8230-8236. https://doi.org/10.3969/j.issn.1001-9731.2024.08.031

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  The continuous upgrading of the automobile industry has put forward higher requirements for the performance and lightweight effect of aluminum alloys. Heat treatment is an effective way to improve the performance of aluminum alloy, but how to obtain the optimal combination of heat treatment process parameters is an urgent problem. In this paper, the influence of heat treatment process parameters (solution temperature, solution time, aging temperature, aging time) on mechanical properties was systematically studied, and the relationship model between mechanical properties and heat treatment process parameters was established. The micromorphology under different process parameters were analyzed by ESDB and SEM. The results show that when the solution temperature was 530 ℃, the solution time was 1 h, the aging temperature was 170 ℃, and the aging time was 6 h, the mechanical property of 6082 aluminum alloy profiles was the best. The yield strength was 313 MPa, the tensile strength was 350 MPa, and the elongation after break was 13.21%. The relationship model between Y value (yield strength, tensile strength, and elongation after fracture) and key process factors was established, in which the solution temperature had the greatest influence. When the solution temperature was 530 ℃, the grain size was the smallest, and the mechanical properties of the precipitated fine Mg₂Si phase and Al(FeMnSi) phase were the best, and the tensile fracture was mainly the dimpled fracture. This paper provides theoretical basis and practical guidance for the optimization of heat treatment process parameters of aluminum alloy profiles.