30 December 2024, Volume 55 Issue 12

    

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Focuses & Concerns
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  Preparation and application of photocurable polyurethane flexible coatings

  LI Shixin, ZHANG Mingzu, HE Jinlin, NI Peihong

  Journal of Functional Materials. 2024, 55(12): 12001-12006. https://doi.org/10.3969/j.issn.1001-9731.2024.12.001

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  UV-curable coatings are environmentally friendly coatings with the advantages of rapid curing and film formation. Herein, we reported an UV-curable polyurethane oligomer based on soft segment of polycarbonate diol and carbon-carbon double bond as end group. The photocurable flexible polyurethane was prepared by combining the oligomer with several active acrylate monomers, and the properties of the coatings after curing with different formulations were studied. The results showed that addition of an additional 15wt% polyethylene glycol (400) diacrylate to a coating containing 55wt% polyurethane prepolymer resulted in a film with good flexibility and adhesion, and good performance. After the aging test, it could still maintain good adhesion force with the polycarbonate substrate.
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  Preparation and application studies of D-A type polymers based on the acceptor of dibenzophenazine derivatives

  DUAN Meilin, YAN Yuqi, BAI Lan, WU Chao, CAO Yu, LI Min, LI Jie, WANG Hua, ZHAO Jianwen, LIANG Xuelei

  Journal of Functional Materials. 2024, 55(12): 12007-12015. https://doi.org/10.3969/j.issn.1001-9731.2024.12.002

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  The semiconductor single-walled carbon nanotube (s-SWCNT) bound by the conjugated polymers (CPs) can act as channels in thin-film transistors (TFTs) with high charge mobility and good photoelectric response property, which shows huge utilization potential in artificial intelligence. Two CPs of 10Th-oCz-2,7-PM15 and 10Th-oCz-3,6-PM15 based on dibenzophenazine derivatives with different chain configuration were constructed by changing joining site between dibenzophenazine derivatives and carbazole. Among them, the 10Th-oCz-2,7-PM15 shows better effect of binding to s-SWCNT, owing to its planar conjugated configuration. Moreover, the TFT based on s-SWCNT bound by 10Th-oCz-2,7-PM15 presents better performance, for example, higher charge mobility of 10.58 cm²/V·s and bigger on/off ratio of 10⁶. In conclusion, the configuration of CPs can influence the performance of TFT based on s-SWCNT bound by CPs eventually.
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  Study on superelasticity of nanocrystalline NiTiV memory alloys

  LI Shihan, LI Qiuzhen, GUO Jingyuan, HAO Shijie, CUI Lishan

  Journal of Functional Materials. 2024, 55(12): 12016-12020. https://doi.org/10.3969/j.issn.1001-9731.2024.12.003

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  NiTi based memory alloys have a narrow super-elastic temperature range (<100 ℃), which limits their application range. In this paper, nanocrystalline (NC) Ni₅₁Ti₄₉V₁ (at.%) alloy wire was prepared by Ni-V co-doped NiTi through vacuum induction melting, forging, large deformation wire drawing and low temperature annealing. The microstructure of the sample was characterized by transmission electron microscopy (TEM), and the superelasticity of the sample was characterized by universal tensile testing machine. The results showed that Ni₅₁Ti₄₉V₁ alloy consists of nanocrystalline with an average grain size of 13 nm. Tensile tests at different temperatures showed that the alloy exhibited excellent superelasticity in a wide temperature range from -40 ℃ to 100 ℃, and the superelastic temperature range was wider than that of NC NiTi alloy (25-100 ℃). In addition, the temperature dependence of the critical stress of the B2→B19′ transformation (dσ/dT) decreased from 5.6 MPa/℃ to 1.8 MPa/℃ with decreasing temperature.
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  Preparation and thermoelectric properties of antimony telluride based composite thermoelectric materials

  LU Sen, GUO Tao, LI Xin

  Journal of Functional Materials. 2024, 55(12): 12021-12027. https://doi.org/10.3969/j.issn.1001-9731.2024.12.004

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  Taking Sb₂Te₃ as the research object, Bi_xSb_2-xTe₃ powder was prepared by hydrothermal method by doping Bi element, and Bi_xSb_2-xTe₃ thin film was prepared by high vacuum thermal evaporation coating method on a glass slide substrate. The lattice structure, microstructure and elemental composition of Bi_xSb_2-xTe₃ thin films were studied using XRD, SEM, EDS, XPS, etc. The influence of Bi proportion on the thermoelectric properties of Bi_xSb_2-xTe₃ thin films was tested using the electrical performance testing system ZEM-3. The results showed that Bi_xSb_2-xTe₃ had a diamond shaped structure, with irregular morphology of particles and layers. After doping with Bi³⁺, it would replace the position of Sb³⁺. The conductivity of Bi_xSb_2-xTe₃ film showed a trend of first decreasing and then slightly increasing with the increase of temperature. With the increased of Bi doping amount, the conductivity of Bi_xSb_2-xTe₃ film first increased and then decreased, and the Seebeck coefficient continued to increase. At 300 K, the highest conductivity of Bi_0.4Sb_1.6Te₃ film was 3 015 S/cm. The total thermal conductivity of Bi_xSb_2-xTe₃ thin film first decreased and then increased with the increase of temperature, and continuously decreased with the increase of Bi doping amount. The highest thermal conductivity of Sb₂Te₃ at 300 K was 1.61 W/(m·K)., the power factor of Bi_xSb_2-xTe₃ thin film first increased and then decreased. The power factor of Bi_0.4Sb_1.6Te₃ thin film reached its maximum value of 16.2 μW/(cm·K²) at 300 K, indicated that Bi_0.4Sb_1.6Te₃ composite thermoelectric material can generate a larger thermoelectric voltage and achieve higher thermoelectric conversion efficiency under a given temperature difference.
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  Research progress on Mxene/carbon nanomaterial composite absorbers

  MU Zhichao, WANG Lanzhi, TANG Zipeng, DU Zuojuan, LIU Yu, YUE Jianling, HUANG Xiaozhong

  Journal of Functional Materials. 2024, 55(12): 12028-12044. https://doi.org/10.3969/j.issn.1001-9731.2024.12.005

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  With the development of science and technology, the use of portable electronic equipment is becoming more and more extensive, and it is inevitable to produce a large amount of electromagnetic radiation in its surrounding environment, and it is urgent to develop electromagnetic wave absorbing materials and optimize their performance, which can not only protect the human body from electromagnetic wave interference, but also reduce the secondary pollution of electromagnetic waves, which has important research significance in civil and military affairs. The two-dimensional nanomaterial Mxene has the characteristics of low density, large specific surface area, excellent electrical conductivity and good chemical activity, and has great application prospects in the field of electromagnetic protection. Carbon-based materials, such as graphene, carbon nanotubes, carbon fibers, etc., are widely used for electromagnetic interference protection because of their good thermal/electrical properties. In this paper, the research progress of Mxene/carbon matrix composites in the field of wave absorption is reviewed, and the loss mechanism of Mxene/carbon matrix composites absorbers is introduced in detail, and its structure is analyzed. Finally, the future development direction of Mxene/carbon-based composite absorber is prospected in terms of preparation, structure and multi-function.
Review & Advance
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  Research progress of graphene oxide materials in the treatment of radioactive wastewater

  CHEN Jia, KANG Jing, LIAN Bing, CHEN Hailong, WU Feifei, YU Zhixiang

  Journal of Functional Materials. 2024, 55(12): 12045-12052. https://doi.org/10.3969/j.issn.1001-9731.2024.12.006

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  The increasing amount of nuclear wastewater poses a potential threat to human health and the ecosystem, and the effective removal of nuclides in nuclear wastewater has become an important task. In recent years, the research of graphene oxide (GO) and its composites in the field of radioactive wastewater treatment has become a hot spot. In this paper, the research progress of GO, nitrogen functionalized GO, phosphorus functionalized GO, GO/metal oxide composites, GO/MOFs composites and GO/CNTs composites in the removal of typical radionuclides such as uranium, strontium and cesium from radioactive wastewater in recent years was reviewed and the future research work was also prospected.
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  Progress on the modification of tin dioxide materials for electrochemical lithium storage

  LI Xiaolu, LIU Peng, YANG Xianfeng

  Journal of Functional Materials. 2024, 55(12): 12053-12058. https://doi.org/10.3969/j.issn.1001-9731.2024.12.007

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  The rapid developments of new energy vehicles and smart grids have driven the innovation of battery energy storage technology. Tin dioxide is considered as a potential alternative to traditional graphite anodes for lithium-ion batteries due to its high theoretical specific capacity and abundant reserves. However, the commercial application of tin dioxide is limited by its low initial coulombic efficiency (ICE), short cycle life and poor electrical conductivity. In this paper, we focus on the performance drawbacks of tin dioxide for electrochemical lithium storage, and introduce the modification strategies of tin dioxide anode materials and their research progress. Furthermore, we prospect the application of tin dioxide in the field of lithium-ion batteries.
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  Research progress on supported catalysts for hydrogen evolution from decomposition of hydrous hydrazine

  ZHOU Kenian, ZHANG Jingzhe, YUAN Gaoqian, YANG Guodong, ZHANG Haijun, LI Faliang

  Journal of Functional Materials. 2024, 55(12): 12059-12071. https://doi.org/10.3969/j.issn.1001-9731.2024.12.008

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  Hydrogen has been widely concerned as a green energy source with high combustion energy release. Hydrazine hydrate (N₂H₄·H₂O) is a hydrogen storage material with a high capacity of 8.0 wt.%, and holds great potential as a green hydrogen storage material since its decomposed product is safe and environmentally friendly. Catalyst plays a crucial role in the decomposition of hydrazine hydrate for hydrogen evolution. This review summarizes the effects of supported metal active center composition and carrier type on the catalytic efficiency, selectivity, and durability of supported catalysts for hydrogen generation through the decomposition of hydrazine hydrate. Different methods to improve the catalytic performance of these supported catalysts are analyzed. Moreover, the article identifies the main issues and challenges in this research area and offers potential future development directions.
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  Research progress of durable, transparent and smooth repellent surfaces

  YU Min, QIN Liwen, ZHUO Haoze, ZHU Liping, LI Jianxin, PAN Jiqi

  Journal of Functional Materials. 2024, 55(12): 12072-12083. https://doi.org/10.3969/j.issn.1001-9731.2024.12.009

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  Recently, smooth liquid-repellent surfaces (SLRS) with excellent anti-wettability have become a prominent subject of research in both academia and industry. Although the applications of liquid-repellent surfaces with anti-wettability are increasingly growing, new challenges and requirements are also emerging. High transparency, well mechanical/chemical durability, and long-term weather-resistance are essential prerequisites for the practical implementation (such as anti-fouling for photovoltaics, anti-icing for wind power, and anti-scaling for pipelines) of smooth liquid-repellent surfaces. Therefore, there should be an emphasis on achieving these qualities. This review describes the classification and preparation of liquid-repellent surfaces. The applications of durable SLRS in self-cleaning, anti-fingerprint/anti-smudge, de-icing/anti-icing, anti-biofouling, and anti-scaling are discussed, followed by a summary of the challenges and an outlook on future research.
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  Research progress on microstructure and properties of Invar alloy

  HUANG Haitang, WANG Fangjun, MENG Gang, CHEN Denghuang, ZHOU Dadi, QIU Weiyi, WANG Dongzhe

  Journal of Functional Materials. 2024, 55(12): 12084-12095. https://doi.org/10.3969/j.issn.1001-9731.2024.12.010

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  The expansion and contraction of material caused by the change of ambient temperature is a common problem for precision instruments, optical components, aerospace equipment, etc. Due to the low coefficient of thermal expansion of less than 2.0 ppm/℃ at Curie temperature of 230 ℃ or below, Invar alloys have extremely high dimensional stability, and this unique property makes Invar alloys have an excellent advantage in the field of high-precision and high-stability dimensional change. However, combined with the actual working conditions and specific application environments, Invar alloys need to have other functions, such as high strength, magnetism, damping, etc., under the condition of low expansion characteristics, in order to meet the diversified needs for material properties in different fields. In order to promote the in-depth study of Invar alloys, this paper provides a comprehensive evaluation of the research progress of Invalid alloys, focusing on the six aspects of the strengthening pathways of Invar alloys, namely, precipitation strengthening, deformation strengthening, magnetism, damping, electrodeposition, and additive manufacturing, and puts forward some opinions on the direction of its development in the hope of providing a certain reference value for the future optimization of Invar alloy properties.
Research & Development
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  Preparation and photocatalytic performance of porous heterojunction g-C₃N₄/TiO₂ photocatalyst

  WANG Zhiyuan, TIAN Weiguang, YU Wei, LIU Zhongjiang, WANG Runbin, FU Yuqi, XUE Chengbin, JIANG Hanmei, JIA Bi

  Journal of Functional Materials. 2024, 55(12): 12096-12103. https://doi.org/10.3969/j.issn.1001-9731.2024.12.011

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  Environmental pollution is an important problem that needs to be solved in the process of industrial production. We synthesized g-C₃N₄/TiO₂ heterojunction photocatalyst by biological template method, which showed better photocatalytic performance than pure TiO₂ water solution in the process of degrading MO wastewater. The Yeast as soft biological template provided the materials with a porous structure and a large specific surface area, which increased the reactive sites in the aqueous solution and respectively, the g-C₃N₄/TiO₂ heterojunction structure acted as an electron transfer channel. light conditions, by the influence of internal electric field and Coulomb force, relatively useless electron-hole pairs got recombination and supreme redox ability electron-hole pairs are retained, respectively the retained electron-hole pairs provied the materials with the strongest redox capacity. XPS analysis verified that the direction of electron transfer was from g-C₃N₄ to TiO₂ The radical trapping experiment revealed that ·OH and O^-₂ molecules appeared around the composites, which were the main active ingredient in the photocatalytic degradation process. Therefore, the g-C₃N₄/TiO₂ composites prepared by the biotemplate and calcination method are promising photocatalysts for degrading organic dye wastewater.
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  Synthesis and CO₂ adsorption properties of amino-functionalized bimetallic ZIF

  WANG Mingmei, DONG Jiling, ZHONG Chenchen, JIANG Wei, LIU Yang

  Journal of Functional Materials. 2024, 55(12): 12104-12111. https://doi.org/10.3969/j.issn.1001-9731.2024.12.012

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  Zeolitic imidazolate framework materials (ZIFs) have demonstrated considerable promise in the field of CO₂ adsorption and separation as a highly porous class of materials characterized by their high specific surface area, porosity and stable pore structure. In order to improve the CO₂ adsorption capabilities of ZIFs, a dual approach involving pre-synthetic and post-synthetic functionalization was implemented. A one-pot synthesis method at ambient temperature was utilized to produce hollow bimetallic zeolitic imidazolate framework materials (Co/Zn-ZIF). Following this, tetraethylenepentamine (TEPA) was employed as a post-synthetic functionalization modifier through impregnation to synthesize TEPA@Co/Zn-ZIF, which was utilized for CO₂ adsorption and circular experimentation. Comparative analysis of TEPA@Co/Zn-ZIF with ZIF-8 and Co/Zn-ZIF was carried out using XRD, FT-IR, SEM, and other analytical techniques. The results of the adsorption experiments indicated that the modified material displayed a significantly increased CO₂ adsorption capacity of 2.53 mmol/g, representing a 60% improvement over ZIF-8 and a 33% improvement over Co/Zn-ZIF. This enhancement can be attributed to the improved electrostatic interaction between the active metal centers and CO₂ following metal doping, as well as the chemisorption resulting from the acid-base reaction of -NH₂ with CO₂. Additionally, TEPA@Co/Zn-ZIF maintained a satisfactory adsorption effect of 1.99 mmol/g even after undergoing five cycles.
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  Effect of high temperature heat treatment on mechanical and thermal conductivity of foam concrete

  YU Zuguo, LI Jiucun

  Journal of Functional Materials. 2024, 55(12): 12112-12119. https://doi.org/10.3969/j.issn.1001-9731.2024.12.013

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  Three kinds of foam concrete with different water binder ratio were prepared by physical foaming with Portland cement as raw material.The effects of high temperature heat treatment on the phase structure, micro morphology, compressive strength residual rate, mass loss rate, water absorption rate and thermal conductivity of foam concrete were studied.The results showed that when the heating temperature was lower than 500 ℃, the concrete surface cracks were less, the compressive strength residual rate and mass loss rate of foam concrete with water binder ratio of 0.5 decreased most, and the mass loss rate of foam concrete with water binder ratio of 0.4 decreased least.When the heating temperature reached 900 ℃, there were many cracks on the concrete surface and obvious through cracks appearing. The compressive strength residual rate of foam concrete with three water binder ratios tended to be the same, all of which were below 20%. The mass loss rate of foam concrete with water binder ratio of 0.4 was the lowest 20.18%, and the water absorption rate of foam concrete with water binder ratio of 0.5 was the highest 69.2%.The thermal conductivity test showed that at the same temperature, the thermal conductivity of foam concrete with water binder ratio of 0.4 was the lowest.When the heating temperature reached 900 ℃, the thermal conductivity of foam concrete with water binder ratio of 0.4 was at least 0.2975 W/(m·K), which had excellent performance in fire prevention and thermal insulation applications.
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  Synthesis and electrochemical properties of NaAlO₂ coated LiNi_0.8Co_0.1Mn_0.1O₂ cathode material

  WANG Yang, WANG Bing, TANG Lidan, ZHONG Weili, SHANG Jian, QI Jingang

  Journal of Functional Materials. 2024, 55(12): 12120-12125. https://doi.org/10.3969/j.issn.1001-9731.2024.12.014

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  Using lithium acetate, nickel acetate, cobalt acetate, and manganese acetate as raw materials and citric acid as a complexing agent, LiNi_0.8Co_0.1Mn_0.1O₂ was synthesized via the sol-gel method. After calcination with NaAlO₂, LiNi_0.8Co_0.1Mn_0.1O₂ coated with NaAlO₂ was successfully prepared. XRD, SEM, and EDS were employed to characterize the structure and morphology of the samples. The results revealed that an increase in coating amount led to an expansion in lattice spacing while transforming the particle surface from smooth to rough texture. Electrochemical testing demonstrated that 2 wt% NaAlO₂@LiNi_0.8Co_0.1Mn_0.1O₂ exhibited an initial specific discharge capacity of 180.36 mAh/g at 1 C rate with a capacity retention rate of 79.2% after 200 cycles. Furthermore, it displayed improved electrochemical reversibility and reduced charge transfer resistance.
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  Effect of In doping on the structure and electrochemical performance of LGPS electrolytes

  HOU Shuzeng, XIE Ning, CHENG Xue, ZHAI Bo, LI Xuan

  Journal of Functional Materials. 2024, 55(12): 12126-12130. https://doi.org/10.3969/j.issn.1001-9731.2024.12.015

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  In order to improve the structural and chemical stability of Li₁₀GeP₂S₁₂ (LGPS), a series of In-doped LGPS electrolytes, Li₁₀In_xGe_1-0.75xP₂S₁₂ (x=0.1-0.5) (LGInPS), were prepared by high-energy mechanical ball milling combined with high-temperature sintering.SEM morphology observation and XRD physical phase analysis showed that with the In elemental participation increased, the density and crystallinity of LGInPS series electrolytes gradually increased and when x>0.3, the impurity content began to increase and the particle agglomeration phenomenon began to be serious. The structural analysis and electrochemical performance of LGInPS electrolytes with optimal In doping x=0.3 were tested and compared with LGPS, and the results showed that the electrochemical and structural stability of LGInPS improved when the In doping amount was x=0.3. In addition, the structural unit of the highly conductive phases in LGInPS was strengthened, the AC impedance reduced (69%), and the ionic conductivity increased (106%).
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  Study on the structure and rheological behavior of hexagonal lyotropic liquid crystal template

  WANG Baoyu, WANG Guang, LI Zhenyu, WU Yuanpeng

  Journal of Functional Materials. 2024, 55(12): 12131-12136. https://doi.org/10.3969/j.issn.1001-9731.2024.12.016

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  Hexagonal lyotropic liquid crystals (HLLC) are ideal soft templates for the preparation of nanomaterials with precise size and structure at the nanoscale/sub-nanoscale level. This article reports the influence of surfactant molecule, dodecyltrimethylammonium bromide (DTAB), on the structure and physicochemical properties of the ternary HLLC system formed by it. The phase structure, structural parameters, and rheological properties of the HLLC were characterized by polarized light microscope, small angle X-ray scattering technology, and rheometers. The results showed that with the increase of DTAB molecular concentration, the micelle spacing, channel width and domain size decreased, but the micelle radius increased. At the same time, with the concentration of DTAB molecules increased, the dynamic mechanical properties of the HLLC system became more excellent. This study can better understand the rules of the influence of amphiphilic molecules on the structure and physicochemical properties of HLLC template, thus providing a theoretical reference for fine-tuning the nanostructure parameters and achieving nanostructure retention through the composition design at the molecular level.
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  Synthesis and hydrogen evolution performance of nanoporous NiO-Ni/Al₃Ni₂ composite catalysts

  GU Xiantao, FAN Peipei, CHEN Xiaochun, ZHANG Junjie, JI Qiaozhen, ZHOU Zhongkang, DONG Haosheng, PENG Lixue, ZHU Shengli

  Journal of Functional Materials. 2024, 55(12): 12137-12143. https://doi.org/10.3969/j.issn.1001-9731.2024.12.017

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  Producing hydrogen through water electrolysis technology is a clean and environmentally friendly method of hydrogen generation. However, the key to realizing the industrial-scale application of water electrolysis for hydrogen production lies in the development of efficient, stable and cost-effective catalysts for the hydrogen evolution reaction. In this work, a nanoporous NiO-Ni/Al₃Ni₂ composite catalyst was prepared by combining the dealloying method and electrochemical oxidation treatment. Due to the synergistic effects of the Ni, Al₃Ni₂ and NiO tri-phases, the NiO-Ni/Al₃Ni₂ composite catalyst exhibited excellent electrocatalytic activity for water splitting and hydrogen evolution. By adjusting the parameters of the electrochemical oxidation treatment, composite catalysts with different compositional ratios could be obtained. Among them, the NiO-Ni/Al₃Ni₂-10s catalyst showed the optimal hydrogen evolution reaction catalytic performance, requiring only 79.1 mV of overpotential to achieve a current density of 10 mA/cm² in alkaline media, while also demonstrating excellent long-term stability. This research provides valuable insights and references for the development of high-activity and high-stability nickel-based hydrogen evolution catalysts.
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  Solidification and segregation behavior of corrosion resistant alloy 945A with high level of Ni and Nb

  ZHOU Dadi, HE Qubo, WANG Fangjun, WANG Dongzhe, MENG Gang, LIU Haiding, HUANG Haitang

  Journal of Functional Materials. 2024, 55(12): 12144-12150. https://doi.org/10.3969/j.issn.1001-9731.2024.12.018

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  By employing JmaPro thermodynamic calculations in conjunction with optical microscopy, scanning electron microscopy, and electron probe microanalysis, the types of precipitated phases, characteristics of the as-cast microstructure, and element segregation behaviors of corrosion resistant alloy 945A with high level of nickel and niobium were investigated. The results indicate that during the non-equilibrium solidification process of the 945A alloy, M₂O₃-type oxides, MC-type carbides, γ matrix, MN-type nitrides, Laves phase and η phase were sequentially precipitated in the liquid phase. The as-cast microstructure of the electroslag ingot exhibited a typical solidified structure with significant contrast differences, and there was an enrichment of needle-shaped phases near the large precipitated phases in the interdendritic regions. Severe element segregation was observed in the alloy, with Cr, Fe, and Al elements segregating towards the dendrite core, and the degree of negative segregation follows the order: K_Cr>K_Fe>K_Al. Nb, Mo. Ti elements were enriched in the interdendritic regions, and the degree of positive segregation was K_Nb>K_Mo>K_Ti. Due to the segregation of Ni, Nb, and Ti near the large precipitated phases, the precipitation of needle-shaped η-Ni₃(Ti, Nb) was facilitated. The segregation of Nb, Mo, and Ti in the interdendritic regions at the end of solidification led to the distribution of non-metallic inclusions such as MgO.Al₂O₃ + (Ti, Nb)N, (Nb, Ti)(C, N) + M₂₃C₆.
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  Research on frost resistance of desert sand concrete undersulphate freeze-thawing and prediction model of strength based on GM (1, 1) model

  LIU Haifeng, JIANG Yanjie, SUN Jingpeng, CHE Jialing, YANG Weiwu, ZHU Lichen

  Journal of Functional Materials. 2024, 55(12): 12151-12161. https://doi.org/10.3969/j.issn.1001-9731.2024.12.019

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  In order to study the frost resistance and strength regulation of desert sand concrete (DSC) subjected to sulphate freeze-thaw cycle, the freeze-thaw cycle test of DSC was carried out with three kinds of sulphate solutions (3%, 5% and 7% Na₂SO₄) as freezing and thawing medium. The apparent characteristics, mass loss rate, relative dynamic elastic modulus, corrosion resistance coefficient and ultrasonic velocity loss rate of DSC after exposure to sulphate freeze-thaw cycles were analyzed. A prediction model for the strength of desert sand concrete after sulphate freeze-thawing was established on the basis of GM (1, 1) model. Experimental results showed that with increasing number of freeze-thaw cycles, the mass loss rate and ultrasonic velocity loss rate increased, but the corrosion coefficient and relative dynamic modulus decreased. When desert sand replacement rate (DSRR) increased from 0 to 40%, concrete showed better frost resistance. When the DSRR was above 60%, the incorporation of excess desert sand had adversely effect on the frost resistance. Excessive larger mass fraction of sulphate solution exacerbated the failure process of DSC and reduced significantly the predicted service life of DSC. The average relative errors of the predicated results from GM (1, 1) model were less than 2% with high prediction accuracy. Research results provided references for the assessment of the predicted service life of concrete structure under the action of sulphate freeze-thawing in Northwest China.
Process & Technology
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  Researchon multi-field numerical simulation of ablation resistance of CuW alloy with graphene

  DING Yi, MAO Guanghui, WANG Shukun, HAN Yu, GAO Jianfeng, CHEN Baoan, PANG Zhen, LIU Tan

  Journal of Functional Materials. 2024, 55(12): 12162-12167. https://doi.org/10.3969/j.issn.1001-9731.2024.12.020

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  With the continuous increase of power demand, the system operation of high-voltage power grid and ultra-high-voltage power grid needs to be guaranteed, and the breaking life of high-voltage circuit breaker has become an important factor in the safe operation of high-voltage and higher voltage network lines. In the process of electric contact breaking off at high voltage, due to the breakdown discharge and arcing ablation, the surface of electric contact will produce material transfer, which will lead to the failure of electric contact after many times of accumulation, thus resulting in potential safety hazard. It is very important to improve the ablative resistance of electrical contacts, but the evaluation of ablative performance still depends on expensive type test. In this paper, the preparation and properties of graphene/CuW alloy and the physical process of breaking high-voltage electrical contact are investigated. Then, a high-voltage ablation simulation model of electrical contacts was established by using the modified CuW contact material doped with graphene. It was found that the distribution of graphene in CuW was uniform, and the density and mechanical properties of CuW were improved, so that the electrical contact had better mechanical and electrical properties. The temperature distribution of electric contact under arc erosion is obtained by theoretical simulation and simulation model calculation of high voltage ablation process of electric contact. By comparing the temperature distribution of the electric contact under arc erosion between the graphite modified CuW and the traditional CuW, it is found that the graphite modified CuW has stronger resistance to electric erosion. In this paper, the strengthening mechanism of graphene in CuW alloy is explained, and the theoretical and simulation guidance for further research and development of graphene-doped CuW contact is provided.
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  Effectof grain boundary diffusion with DyH₂ and DyH₂+Cu on Nd-Ce-Fe-B sintered magnets

  LI Xinyu, HU Huaigu, WANG Shuai, YONG Hui, HU Jifan

  Journal of Functional Materials. 2024, 55(12): 12168-12174. https://doi.org/10.3969/j.issn.1001-9731.2024.12.021

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  The sintered Nd-Ce-Fe-B magnet with cerium accounting for 40.6% of the total rare earth weight was prepared using a dual-main phase sintering process, followed by grain boundary diffusion using DyH₂ and DyH₂+Cu, respectively. The coercivity has been improved at a cost of slight reduction of the remanence and maximum magnetic product. Under the same diffusion process conditions, the enhancement effect of DyH₂+Cu diffusion on the coercivity of magnets is higher than that of DyH₂ diffusion. In DyH₂+Cu diffusion magnets, Dy atoms can diffuse to deeper parts of the magnet, and core-shell structure can exist at deeper positions. Cu aided DyH₂ diffusion makes grain boundary phase be more continuous. This is related to the increased fluidity of the grain boundary phase by Cu atoms. The micromagnetic simulation results confirm that the grain boundary diffusion of Dy can enhance the coercivity of the magnet.
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  Study on modification of CO₂ hydrogenation to methanol with GaZrO_x catalyst

  CHEN Zhiyuan, ZHOU Jiabin, HUANG Zhenhui, WANG Yuning, GONG Jiesong, GAO Wengui

  Journal of Functional Materials. 2024, 55(12): 12175-12184. https://doi.org/10.3969/j.issn.1001-9731.2024.12.022

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  A series of Ga_yZr_1-yO_x (y=0.2, 0.3, 0.4, 0.5) catalysts with different Ga-Zr ratios (Ga/Zr=2/8, 3/7, 4/6, 5/5) were prepared by co-current coprecipitation method. The effect of Ga doping ratio on catalyst performance was investigated, and the optimal Ga/Zr ratio was obtained. The crystal phase, specific surface area, pore volume, pore size and weight loss of Ga_yZr_1-yO_x catalyst materials were studied by XRD, N₂ physical adsorption, ICP-OES and TG. XPS, CO₂-TPD, H₂-TPD and H₂-TPR were used to investigate the surface electronic structure, acid-alkalinity, reducibility and H₂ and CO₂ adsorbability of the materials, and to reveal the relationship between the structure and properties of the materials. The results show that the specific surface area and dispersion of Ga_yZr_1-yO_x catalyst increase significantly with the increase of Ga doping ratio. The adsorption capacity of H₂/CO₂ and the number of moderately alkaline sites increased significantly. The surface oxygen vacancy content increases and the interaction between Ga and Zr is enhanced. Appropriate Ga content can improve the catalytic performance of Ga_yZr_1-yO_x catalyst. When Ga/Zr=4/6, at the condition of 280 ℃, 3 MPa, H₂/CO₂=3/1, the maximum methanol yield reached 4.95 mmol/(h·g_cat).
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  First-principles calculations of the electronic structure and optical properties of hexagonal CaCuCh (Ch= N, P, As, Sb, Bi)

  LUO Yingxi, LI Wenjing, LI Xiaoming, LI Yuting, LIU Qijun, LIU Zhengtang, BAI Zhixin

  Journal of Functional Materials. 2024, 55(12): 12185-12191. https://doi.org/10.3969/j.issn.1001-9731.2024.12.023

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  In recent years, p-type transparent conducting non-oxide materials have attracted extensive attention from many researchers. In this paper,based on the first principles of density functional theory, the geometric structure of hexagonal non-oxide CaCuCh (Ch=N, P, As, Sb, Bi) are optimized, and its electronic structure and optical properties are calculated and analyzed. The calculated results show that CaCuP, CaCuAs and CaCuSb belong to indirect bandgap semiconductors with bandgaps of 0.155, 0.247 and 0.065 eV, respectively, while the energy bands of CaCuN and CaCuBi pass through the Fermi surface and exhibit metallic properties. The analysis of state density shows that the conduction band is mainly composed of Ca-4s and Ch-p states, and the valence band near the Fermi plane is mainly composed of Cu-3d states, and Ch-p states are hybrid. Finally, the optical properties of hexagon CaCuCh in the direction of (100) and (001) with the change of photon energy are obtained, including complex dielectric function, complex refractive index, reflection spectrum, absorption spectrum, loss function and photoconductivity spectrum. The results show that hexagonal CaCuCh has optical anisotropy in (100) and (001) directions, which provides a theoretical basis for the application of hexagonal CaCuCh.
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  Electrochemical reconstruction of Fe₃O₄ for efficient oxygen evolution reactions

  SUN Zhengyin, XIANG Junying, YE Zhuang, ZHANG Haixia

  Journal of Functional Materials. 2024, 55(12): 12192-12200. https://doi.org/10.3969/j.issn.1001-9731.2024.12.024

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  Surface reconstruction of iron (Fe) based electrocatalysts is essential for efficient oxygen evolution (OER). In this paper, nano-spherules assembled by ruthenium (Ru) and sulfur (S) co-doped Ferric oxide (Fe₃O₄) nanosheets were prepared on foamy iron (IF) substrate by one-step hydrothermal method, and then S was leached by electrochemical method to promote the reconstruction of Fe₃O₄ nanosheets into FeOOH, forming the Ru-doped FeOOH catalysts (Ru-FeOOH-O_v/IF) with oxygen-rich vacancy (O_v) on the IF substrate. As the active phase in OER process, the presence of Ru doping and O_v can further enhance the intrinsic activity of FeOOH itself, which promoted the adsorption of water (H₂O) and the release of oxygen (O₂) gas. Therefore, the obtained catalyst had excellent alkaline electrochemical properties, showing low overpotential of 270 mV and 311 mV at current densities of 100 mA/cm² and 300 mA/cm², respectively, and long-term electrolytic stability of 300 h.
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  Preparation and pore properties of Cu doped Ti-Si porous membrane materials

  JIAO Yanni, LIU Zhongjun, LEI Juan, JI Shuai, AO Qingbo

  Journal of Functional Materials. 2024, 55(12): 12201-12209. https://doi.org/10.3969/j.issn.1001-9731.2024.12.025

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  The Cu-doped Ti-Si intermetallic porous membrane materials were successfully prepared by pressure in-situ reaction sintering. The Ti-Si porous membrane materials prepared at different sintering temperature and Cu doping amounts were characterized by scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-ray diffractometer (XRD) and electronic universal testing machine. The experimental results showed that the main phase of the membrane was Ti₅Si₃, accompanied by a small amount of TiCu and Ti-O compound secondary phase formation. The surface particle size of the Ti-Si porous membrane was 0.5-2 μm, and the thickness of the membrane layer was 6-10 μm. With the increase of Cu powder doping amounts or sintering temperature, the maximum bubble pore size and the relative permeability coefficient decreased. The maximum bubble pore size is between 24-29 μm, and the relative permeability coefficient ranged from 33 to 97 m³/(m²·h·kPa). Cu doping can promote the in-situ reaction of Ti-Si system. It accelerated the formation of Ti₅Si₃ porous membrane and increased the bonding strength between the membrane layer and the substrate. When the Cu doping amount was 5wt% with the sintering temperature of 900 ℃, the membrane/substrate bonding strength of the prepared sample reached up to 19.18 MPa.
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  Mechanism analysis of magnesium phosphate cement by pyrophyllite under high temperature

  FENG Xuezhong, LIU Qiaoling, ZHANG Jing, XU Qingdong, DOU Ting

  Journal of Functional Materials. 2024, 55(12): 12210-12216. https://doi.org/10.3969/j.issn.1001-9731.2024.12.026

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  The high-temperature resistance of magnesium phosphate cement (MPC) as an inorganic adhesive for strengthening and repairing building structures has attracted significant attention. In this paper, a pyrophyllite compound magnesium phosphate cement (P-MPC) was prepared. The high-temperature resistance of this material was analyzed through mechanical properties, mass loss rate, microscopic observation, and phase analysis. Results indicate that with increasing pyrophyllite content, the compressive strength retention rate of MPC gradually in creased at elevated temperatures. At 800 ℃, the strength retention rate of MPC with 12% pyrophyllite content was 20%, exceeding 6% of the blank control group. Phase composition analysis revealed that the decomposition of hydration product struvite was a key factor leading to the decrease in compressive strength of MPC. Thermogravimetric analysis indicated that the mass loss rate of MPC decreased gradually with increasing pyrophyllite content. Backscattered electron spectrometer (BES) analysis of the microstructure and elemental composition of the blank control group and the experimental group with 12% pyrophyllite content at 200 ℃ and 800 ℃ showed that the pyrophyllite maintained good integrity with MPC at high temperatures, indicating that this silicate material can effectively combine with MPCthereby improv its high-temperature resistance.
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  Preparation of heterostructured BiCoS_3-δ@Co_1-xS fibers as anode materials in lithium-ion batteries

  YANG Haomiao, LIU Lehao, MA Junfeng, WU Zhuoheng, ZHANG Qiaomu

  Journal of Functional Materials. 2024, 55(12): 12217-12223. https://doi.org/10.3969/j.issn.1001-9731.2024.12.027

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  Metal sulfides (MSs) have been extensively studied in lithium-ion batteries owing to their high theoretical capacity. However, their broad utilization is severely hindered by their poor conductivity and large volumetric change during cycling. One strategy for enhancing the electrochemical performance of MSs anode materials is proposed here, based on the defect engineering and heterostructure design. BiCoS_3-δ fibers with sulfur vacancy defects are firstly synthesized, which can not only provide more reaction active sites, but also enhance the electrical conductivity. BiCoS_3-δ@Co_1-xS composite fibers with heterostructure are also prepared by the in-situ growth of Co_1-xS on BiCoS_3-δ fibers. The heterojunction formed within BiCoS_3-δ@Co_1-xS can favor the charge transfer and enhance the surface reaction kinetics due to the build-in electric field effect. Simultaneously, the tightly contacted interface would improve their structural stability during cycle. Therefore, the heterostructured BiCoS_3-δ@Co_1-xS fibers have the best electrochemical performance. Especially, the BiCoS_3-δ@Co_1-xS electrode maintains a high capacity of 413.5 mAh/g even after 3000 cycles at 1.0 A/g, displaying the excellent cycling stability.
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  Effect of seawater and salt-rich air on dielectric properties of La and Mg doped barium titanate ceramics

  LIANG Bo, HUANG Qiwei, XIE Yuqin, ZHU Mingzhang, BING Lina, SHEN Zhenjiang

  Journal of Functional Materials. 2024, 55(12): 12224-12236. https://doi.org/10.3969/j.issn.1001-9731.2024.12.028

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  La³⁺ and Mg²⁺ were doped into barium titanate by grinding and annealing process, and three groups of samples with doping ratio of 2%, 3% and 4% (molar fraction) were prepared. The samples were placed in seawater and salt-rich air environment for 0, 24, 48 and 72 hours. By means of impedance analyzer, XRD, SEM and EDS, the effects of seawater and salt-rich air on dielectric properties of doped barium titanate ceramics were studied. The results show that the increment of permittivity of barium titanate doped with La³⁺ at low frequency (10²-10³ Hz) is lower than that of pure barium titanate, while the increment of permittivity of Mg²⁺ at low frequency is higher than that of pure barium titanate during 72 h in seawater. Through SEM, it can be clearly seen that the corrosion degree is lightest when the molar ratio of La³⁺ is 4%, which is due to its high sintering density, and the porosity of Mg²⁺ doped barium titanate ceramics increases and the corrosion intensifies. In addition, no matter La³⁺ or Mg²⁺ doping, the dielectric loss is not protected in the salt-rich air for 72 h, because the introduction of La and Mg makes barium titanate produce obvious pores in the humid environment, and the salt crystallizes in the internal air, which is rich in salt and easily ionized, resulting in an increase in dielectric loss. By XRD analysis of the treated samples, there is no obvious peak shift and no miscellaneous peaks. The presence of other components on the sample surface can be clearly seen by EDS.