30 January 2025, Volume 56 Issue 1

    

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  CONTENTS

  Journal of Functional Materials. 2025, 56(1): 0-0.

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Focuses & Concerns
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  Study on preparation and dielectric and ferroelectric properties of Pb_0.9Sr_0.1(Zr_0.5Ti_0.5)_(1-x)Ce_xO₃ ceramics

  ZHANG Tao, WANG Kaiping, WU Lina, YANG Longhai, YANG Jing, LI Min, LI Mingchang

  Journal of Functional Materials. 2025, 56(1): 1001-1006. https://doi.org/10.3969/j.issn.1001-9731.2025.01.001

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  Pb_0.9Sr_0.1(Zr_0.5Ti_0.5)_(1-x)Ce_xO₃ (x=0.05-0.20)(PSCZT) ceramics were successfully prepared by solid-phase sintering method. The effects of different sintering temperature and different Ce doping content on the structure, dielectric and ferroelectric properties of PSCZT ceramics were studied. The results showed that when the sintering temperature was 1 100 ℃ and Ce doping content was 0.05, The compact perovskite ceramics with high residual polarization (11.66 μC/cm²) and small coercive field (17.95 kV/cm) were obtained, at this time, the permittivity of PSCZT ceramics increases from 518 to 912. The positron annihilation test results showed that the average positron annihilation lifetime of PZT and PSCZT ceramic samples with the Ce doping content of 0.10 and sintering temperature of 1 100 ℃ are 178.75 ps and 179.67 ps. The addition of Sr and Ce reduces the probability of positron capture in PZT samples, and the average positron annihilation lifetime increases. The B-site defect concentration of Sr and Ce co-doped PZT decreases, and the number of domain walls decreases accordingly, which makes the domain walls move more easily, thus improving the polarization strength and ferroelectric properties of PZT ceramics.
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  Preparation and properties of stearate acid emulsions of Brij compound emulsifier

  YU Yuxin, MO Songping, CHEN Yufen, JIA Lisi, CHEN Ying

  Journal of Functional Materials. 2025, 56(1): 1007-1015. https://doi.org/10.3969/j.issn.1001-9731.2025.01.002

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  In this paper, stearic acid phase change emulsions were developed for heat storage and transport. Non-ionic surfactant Brijs was mixed with three types of surfactants including cationic surfactant CTAB, anionic surfactant SDS and SDBS, and non-ionic surfactant Tween 40 and Tween 60. The stearate acid phase change nanoemulsions were prepared by phase inversion emulsification method. After preparation parameters optimization, stable nanoemulsions with an average droplet size of less than 100 nm and dispersed phase content up to 30wt% were successfully prepared. The nanoemulsion showed good mobility and good stability under long storage conditions and 100 freeze-thaw cycles.
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  Optimization of iron/manganese oxide-biochar composite materials and the

  ZHAO Bo, LI Haihua, CHEN Yan, YANG Xiaoli, SUN Lixiang, ZHANG Pingxuan, SHI Chenglong, XIAO Jiang, CHEN Guangcai

  Journal of Functional Materials. 2025, 56(1): 1016-1027. https://doi.org/10.3969/j.issn.1001-9731.2025.01.003

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  Heavy metal contamination of environmental waters poses a serious threat to the ecological balance and human health. Therefore, the development of composite materials with highly efficient heavy metals adsorption capabilities is of crucial significance. In this study, the iron-manganese oxides modified biochar (FM-BCs) composite materials were prepared by the use of bone powder and Fe(NO₃)₃ and KMnO₄ in different molar ratios (4∶1, 2∶1, 1∶1, 1∶2, and 1∶4) as raw materials. The results show that iron-manganese modification alters the material's pore ∶structure and introduces Fe-O and Mn-O characteristic functional groups on the surface of the biochar. The molar ratio of KMnO₄ to Fe(NO₃)₃ in the composition of the prepared raw materials significantly influences the adsorption capacity of the FM-BCs composite material for heavy metal ions. In particular, the composite material prepared under the condition that the molar ratio of Fe(NO₃)₃ and KMnO₄ is 1∶4 (F₁M₄-BC )has the best adsorption capacity for heavy metals. Through the study of adsorption kinetics and adsorption isotherms, it was found that FM-BCs predominantly undergo single layer adsorption and chemical adsorption processes for Cd(Ⅱ) and Pb(Ⅱ) ions in aqueous solutions. Specifically, the Langmuir model fitting for F₁M₄-BC demonstrated maximum adsorption capacities of 192.73 mg/g for Cd(Ⅱ) and 427.00 mg/g for Pb(Ⅱ). This research results provide a fundamental scientific basis and technical support for the development of efficient remedial materials for the removal of heavy metals from water.
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  Study on the preparation and supercapacitor properties of plate-like NiCo₂O₄ nanowires

  XU Chunyu, XU Huarui, ZHU Guisheng, ZHANG Xiuyun, WANG Chaoying, JANG Yajuan, HU Tao, REN Shijie, ZHAO Yunyun

  Journal of Functional Materials. 2025, 56(1): 1028-1034. https://doi.org/10.3969/j.issn.1001-9731.2025.01.004

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  NiCo₂O₄, an ideal electrode material for supercapacitors, characterized by high theoretical specific capacitance, low cost, and abundant resources. Using bagasse as a biomass template, nickel-cobalt-based precursors were grown on it by hydrothermal method and annealed to remove the template simultaneously to obtain 3-dimensional plate-like NiCo₂O₄ nanowires (P-NiCo₂O₄ NWs), which is a simple, efficient and cost-effective process. Owing to its structural benefits, the P-NiCo₂O₄ NWs electrode exhibits good electrochemical performance, achieving a high specific capacitance of 1 082 F/g at a current density of 1 A/g and maintaining 85.0% of its capacitance at 20 A/g, demonstrating robust rate capability. The hybrid supercapacitor constructed here achieves an energy density of 42.7 Wh/kg, a power density of 800.2 W/kg, and maintains 91.4% of its initial specific capacitance after 5 000 cycles at a current density of 5 A/g. These promising results indicate that the P-NiCo₂O₄ NWs electrodes, prepared using the biomass stencil method, are potentially applicable in a variety of high-performance energy storage devices.
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  Effect of reverse average current density on structure and properties of double pulse electrodeposited nickel coating

  REN Xin, SUN Tao, WANG Gang, WU Shuangquan, HUO Huan, WANG Haoyu

  Journal of Functional Materials. 2025, 56(1): 1035-1040. https://doi.org/10.3969/j.issn.1001-9731.2025.01.005

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  The effect of reverse average current density on the structure and properties of bidirectional pulse electrodeposited nickel coating was studied, and the process parameters were optimized to improve the performance of the coating. The coating was prepared by bidirectional pulse electroplating process. The JSM-7500F scanning electron microscope, XRD-6100 X-ray diffractometer, ML-100 abrasive wear tester and CHI660E electrochemical workstation were used to study the effect of reverse average current density on the surface morphology, phase structure, plating speed and hardness, wear resistance and corrosion resistance of nickel coating. In the appropriate range, with the increase of the reverse average current density, the cleanliness of the micro surface of the nickel plating layer increases first and then decreases, and the deposition rate of the nickel plating layer shows a decreasing trend. The surface hardness of the nickel coating increases first and then decreases, and the wear weight loss ratio of the nickel coating decreases first and then increases. With the increase of reverse average current density, the preferred growth orientation of nickel crystal is optimized, and the grain refinement of nickel plating layer is promoted. When the reverse average current density is -1.4 A/dm², the microhardness reaches a maximum of 525.8 Hv_0.1, and the wear weight loss ratio is a minimum of 9.208%. When the reverse average current density is -1.4 A/dm², the self-corrosion current density of the coating in 3.5 wt% NaCl solution is reduced by an order of magnitude (5.732×10^-6 A/cm²), with the highest self-corrosion potential (-0.173 V), and the largest charge transfer resistance, showing the best corrosion resistance. When the double pulse electrodeposition technology is used to prepare the coating layer on the surface of the metal matrix material, the surface hardness, wear resistance and corrosion resistance can be effectively improved by properly increasing the reverse average current density.
Review & Advance
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  Research progress of damping silicone rubber

  YAN Jun, WANG Xiaowen, YU Yan, QIU Haoyan, HU Xinyue, ZHAN Richao

  Journal of Functional Materials. 2025, 56(1): 1041-1049. https://doi.org/10.3969/j.issn.1001-9731.2025.01.006

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  With the widespread use of integrated and miniaturized high-performance equipment, the strong vibration and noise produced by these equipment in the process of operation have brought a series of environmental and health problems to human beings. It is an effective way to solve the problem of vibration and noise by using damping materials to transform part of the kinetic energy generated by vibration into heat energy or other forms of energy dissipation. Silicone rubber material has excellent viscoelasticity, and its main chain Si-O bond energy is large. These characteristics give it stable and reliable mechanical properties in a wide temperature range (-50-200 ℃). Hence Silicone rubber material often used as vibration and noise reduction materials in aerospace, medical equipment, automotive light industry, electronics and electrical appliances and other fields. However, the high damping temperature domain of silicone rubber is usually around its glass transition temperature (T_g, -120--70 ℃). The damping performance is relatively poor at room temperature and high temperature, and the effective damping temperature domain is narrow, which is difficult to apply to the actual work requirements. Therefore, it is necessary to modify silicone rubber to enhance and improve its damping performance and broaden its effective damping temperature domain.
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  Progress on gel-based flexible ionic thermoelectric materials

  LIU Kaiyang, LI Guoxian, HU Yongpeng, MENG Chuizhou, GUO Shijie

  Journal of Functional Materials. 2025, 56(1): 1050-1063. https://doi.org/10.3969/j.issn.1001-9731.2025.01.007

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  Ionic thermoelectric (iTE) materials, with ultra-high ionic Seebeck coefficients, have captured considerable attention in recent years. Diverging from conventional electronic thermoelectric materials, iTE materials leverage ions as charge carriers, with ion-conducting gels emerging as promising contenders due to their exceptional iTE properties and flexible stretchability. This paper reviews the current state of research on gel-based iTE materials. The factors affecting the thermoelectric properties of gel-based iTE materials have been analysed in depth by examining the two main working mechanisms of iTE, i.e. thermodiffusion effect and thermogalvanic effect. We elucidate strategies for enhancing the performance of gel-based iTE materials. The applications of gel-based ionic thermoelectric materials are meticulously outlined, alongside a discussion on the challenges hindering the further advancement of these materials. By spotlighting the latest innovations in the realm of ionic thermoelectric materials, we aspire for this review to serve as a pivotal reference for the future progression of gel-based ionic thermoelectric materials.
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  Application of machine learning in permanent magnetic material

  LI Jindong, HAO Yongqin, SUN Xu, SHEN Peng, HAN Rui, ZHOU Dong

  Journal of Functional Materials. 2025, 56(1): 1064-1074. https://doi.org/10.3969/j.issn.1001-9731.2025.01.008

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  Permanent magnetic materials play an important role in modern industry and technology. In recent years, tremendous progress has been made in predicting and optimizing the preparation and application of permanent magnetic materials using machine learning methods. This paper comprehensively reviews the application of machine learning in research on permanent magnetic materials, introduces the learning process of machine learning and commonly used machine learning algorithms, and summarizes the research progress of machine learning technology in microstructure optimization and characterization analysis, magnetic properties prediction and component optimization, exploring new materials.This paper raises the issues faced by machine learning in the field of permanent magnet materials, including high data dimension, limited sample size, large noise interference, and more missing values. In future research, new algorithms and optimization strategies should be deeply studied and explored, the scale of the dataset should be expanded, and intelligent experimental techniques should be combined to accelerate the research and development and improvement of permanent magnet materials.
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  Research progress on the corrosion resistance of Cu alloys

  ZHANG Tianfeng, XU Jiekai, LIU Keming

  Journal of Functional Materials. 2025, 56(1): 1075-1081. https://doi.org/10.3969/j.issn.1001-9731.2025.01.009

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  Cu alloys have been widely used in construction, marine and power engineering fields due to their excellent corrosion resistance and electrical conductivity. However, the corrosion resistance requirements of Cu alloys in some high-tech fields are constantly improving, with the complexity of application scenarios and the diversification of influencing factors. Therefore, this paper analyzed the research status of corrosion resistance of Cu alloys at home and abroad; summarized the main methods for improving the corrosion resistance of Cu alloys, such as surface treatment, heat treatment and multi-element alloying; investigated the effects of these methods on the grain size, corrosion products, phase transformation, and crystal defects of Cu alloys, as well as the mechanisms of improving corrosion resistance; envisioned the future direction of corrosion resistance research on Cu alloys.
Research & Development
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  Ultraviolet pulse laser-induced voltage characteristics of tilting cut SrTiO₃ single crystal

  LIU Xuecong, LYU Zhiqing, ZHAO Kun

  Journal of Functional Materials. 2025, 56(1): 1082-1087. https://doi.org/10.3969/j.issn.1001-9731.2025.01.010.

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  In order to meet the needs of deep UV laser detectors for ultrafast response, high sensitivity and simple process, we studied the laser-induced voltage (LIV) of SrTiO₃ (STO) single crystal under 248 nm KrF excimer pulsed laser irradiation with temperature. The samples used in this paper are commercially available ordinary polished STO single crystal substrates with a purity of 99.99%, and the structural phase transformation around 105 K was not found based on high-energy X-ray diffraction as the temperature decreased from 300 K to 80 K. When the temperature drops from 300 K to 20 K, and the laser induced voltage peak of the non-mitered STO single crystal is about 105 K, there is a slight turn at about 105 K, while the unbiased 10° tilting-cut [001]-STO single crystal has obvious transformation at about 105 K and 40 K. In order to increase the response rate, an external voltage of 60 V was applied to the tilting-cut single crystal. The results show that the peak LIV of 10° tilting-cut [001]-STO single crystal at 300 K is 6.7 times and 59.3 times that of applied biased non-inclined shear and unbiased skewed single crystal, and the transition of LIV peaks at about 105 K and about 40 K is clearer, which corresponds to the cubic phase-tetragonal phase transition and the phase transition temperature of ferroelectric spontaneous polarization of STO single crystals, respectively.
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  Study on Cu(Ⅱ) adsorption propertiesof modified Fe₃O₄@MIL-100(Fe)

  SHI Xiaoxue, DONG Jiling, ZHONG Chenchen, YANG Lingyi, JIANG Wei, ZHONG Guoyuan

  Journal of Functional Materials. 2025, 56(1): 1088-1098. https://doi.org/10.3969/j.issn.1001-9731.2025.01.011

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  Traditional liquid-phase adsorbents have limitations in Cu(Ⅱ) adsorption, such as low adsorption, difficult separation and recovery, while metal-organic frameworks (MOF) exhibit great potential in the field of heavy metal ion adsorption. In this study, Fe₃O₄@MIL-100(Fe) magnetic material was created by an economical and environmentally friendly low-energy room-temperature aqueous-phase method using Fe₃O₄ as a nucleus, and then modified NH₂-Fe₃O₄@MIL-100(Fe) was prepared by post-synthesis modification method. The materials before and after modification were characterized using XRD, FT-IR, SEM, TEM, VSM, and EA. The adsorption performance of Cu(Ⅱ) was studied by investigating the effects of pH, time, concentration, and temperature. Due to the coordination reaction and electrostatic interaction between NH₂-Fe₃O₄@MIL-100(Fe) and Cu(Ⅱ), the adsorption capacity of Cu(Ⅱ) (46.77 mg/g) was significantly higher than that before modification. The adsorption process of Cu(Ⅱ) conformed to the Pseudo 1st order and the Freundlich adsorption model in both modified and unmodified materials. Thermodynamic study showed that the adsorption of Cu(Ⅱ) to the modified material was a spontaneous endothermic process, while that was a spontaneous exothermic process before the modification. In addition, after 5 sorption-desorption cycles, the adsorption capacity of Cu(Ⅱ) by NH₂-Fe₃O₄@MIL-100(Fe) was still slightly higher than that by Fe₃O₄@MIL-100(Fe).
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  Electrodeposition of Ni-Mo-Yb/Cu electrode in deep eutectic system and its hydrogen evolution performance

  YUAN Meiling, CHEN Biqing, JING Xinxin, ZHAI Jiaxin

  Journal of Functional Materials. 2025, 56(1): 1099-1105. https://doi.org/10.3969/j.issn.1001-9731.2025.01.012

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  The development of efficient, cheap and stable electrocatalytic materials is of great significance for green hydrogen production. The Ni-Mo-Yb alloy coatings were electrodeposited in the choline-ethylene glycol deep eutectic system using Cu as the substrates. Meanwhile, the structure and morphology of the electrode were characterized, and the electrochemical hydrogen evolution performance was studied. The results showed that the doping of rare earth Yb made the surface of the coating form spherical particles with uniform size, and the samples have different morphologies under different deposition potentials. Ni-Mo-Yb/Cu excellent electrocatalytic activity and stability. When the current density was 10 mA/cm², the overpotential was only 48 mV, and the charge transfer resistances was only 0.2996 Ω/cm². After 1000 cycles of voltammetry, the overpotential basically did not change, and remained stable under alkaline conditions for 100 h. These excellent electrocatalytic hydrogen evolution properties indicated that the material had great development potential in green industrial hydrogen production.
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  First-principles study on the effect of Ce doping on the electronic structure and Li⁺ migration of LiCoO₂

  ZHANG Xuyun, YU Fuyao, WANG Yong, TAN Xiujuan

  Journal of Functional Materials. 2025, 56(1): 1106-1112. https://doi.org/10.3969/j.issn.1001-9731.2025.01.013

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  LiCoO₂ has excellent volumetric energy density as a cathode material for lithium-ion batteries. However, its structural stability is poor under high voltage conditions, which leads to the performance degradation of LiCoO₂. Rare earth element doping is an effective means to improve the performance of LiCoO₂, but the doping modification mechanism needs to be further clarified at the atomic and electronic scale levels. In this paper, the mechanism of the effect of Ce doping on the electronic structure and Li⁺ migration properties of LiCoO₂ is investigated using a first-principle calculation method. The results show that Ce doping significantly enlarges the cell volume, reduces the charge density within the cell, decreases the strength of interactions, and makes the cell more stable. LiCoO₂ changes from semiconductor properties to metallic properties after Ce doping, which increases the carrier density and improves the electrical conductivity of the material. After Ce doping, the migration barrier of Li⁺ is reduced by 93.12% compared to pure. This is mainly due to the increased thickness of the Li layer caused by Ce doping, which makes it easier for lithium ion migration to occur, thus enhancing the power density and cycle life of the battery.
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  Electronic and optical properties of hydrogen sulfide gas adsorbed on Fe-modified graphene surface

  YUE Yuanxia, LUO Lei, ZHU Hongqiang, WU Zebang, YIN Kaihui, YANG Ying

  Journal of Functional Materials. 2025, 56(1): 1113-1119. https://doi.org/10.3969/j.issn.1001-9731.2025.01.014

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  In this paper, the electronic and optical properties of H2S gas molecules adsorbed on three Fe atom modified graphene surfaces have been studied theoretically by using the functional theory first-principles plane wave ultra-soft pseudopotential method, the adsorption energy, Mulliken distribution, differential charge density, density of states and optical properties of H2S on Fe-modified graphene were calculated and compared with those of the original graphene. The results showed that the surface binding energy of the three Fe atom modified graphene was negative and the structure was stable. After adsorption of H2S gas, the Fe/SV-GN and Fe/DV-GN model were chemical adsorption, the graphene surface (GN) without Fe atom modification and the Fe/4N-GN model were physical adsorption. In the energy range of visible light, the optical properties of the three models modified by Fe atom adsorbed H2S gas were better than that of the original graphene. At the same time, the Fe/SV-GN model had the best optical properties in the infrared region and the Fe/4N-GN model had the best optical properties in the visible region.
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  Performance optimization study of BZO/Ag/BZO transparent electrodes based on magnetron sputtering deposition

  WANG Lu, GAO Chunlian, LI Yuechan, LI Xiuxiu, XIE An

  Journal of Functional Materials. 2025, 56(1): 1120-1125. https://doi.org/10.3969/j.issn.1001-9731.2025.01.015

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  BZO/Ag/BZO electrodes were prepared on soda-lime glass substrates using a multi-step magnetron sputtering method. The effects of the thicknesses of the metal layer Ag and the top layer BZO on the morphology and optoelectronic properties of the electrodes were studied separately. By optimizing the thickness of the Ag layer, when the Ag layer reached a thickness threshold of 19 nm, the Ag changed from "island structure" to "continuous structure", providing a complete conductive path for the transmission of free electrons, significantly increasing the conductivity and reducing the resistivity to 4.19×10^-3 Ω·cm, with an average transmittance of 88% in the visible light region. Additionally, on the basis of a 19 nm metal Ag layer, by adjusting the thickness of the top layer BZO in the electrode structure (32-64 nm), the phase cancellation effect of optical interference could be achieved, inducing an enhancement effect. The electrode with a top layer BZO film thickness of 50 nm was the optimal thickness for achieving high transmittance in a multi-layered structure system, with an average transmittance of 89.85% in the visible light region. While with a top layer BZO thickness of 48 nm, the electrode could provide good support and conductive paths, achieving the lowest resistivity of 4.19×10^-4 Ω·cm.
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  Nitrogen doping enhance the electrocatalytic hydrogen evolution

  LIU Guoliang, YANG Lingyi, JIANG Wei, LIU Yang, DING Hao

  Journal of Functional Materials. 2025, 56(1): 1126-1132. https://doi.org/10.3969/j.issn.1001-9731.2025.01.016

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  Nitrogen doped iron nickel based materials derived from non-precious metal MOFs precursors can serve as ideal catalysts for hydrogen production through water electrolysis. Firstly, MOF(n(Fe)∶n(Ni)=1∶1) precursor was prepared at room temperature, and then converted to FeNi(1∶1) in a muffle furnace at 850 ℃. Subsequently, FeNi(1∶1)-N_7.5 catalyst was obtained by heat treatment in an argon environment using melamine as the N source. The hydrogen evolution reaction overpotential of FeNi(1∶1)-N_7.5 at a current density of 10 mA/cm² was 97.5 mV, and the Tafel slope was 82.1 mV/dec. It also exhibited good long-term catalytic stability. The doping of iron nickel bimetallic and N elements effectively regulated the morphology and surface electronic structure of the catalyst, which helped to reduce the kinetic energy barrier of electrocatalysis and activate new active sites, thereby enhancing the hydrogen evolution activity of alkaline electrocatalysis processes.
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  Study on the performance of organosilane-modified UIO-66 catalyst for CO₂ hydrotreating to methanol

  PENG Yifan, NA Wei, GAO Wengui, HUANG Hao

  Journal of Functional Materials. 2025, 56(1): 1133-1138. https://doi.org/10.3969/j.issn.1001-9731.2025.01.017

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  In this paper, organosilane-modified UiO-66 copper-based catalysts (CuO/Si-UiO-66) were prepared by the impregnation method and experimentally investigated with respect to CO₂ hydrogenation to methanol. The effect of organosilane modification on the performance and structure of the catalysts was investigated by using characterization methods such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and thermogravimetry (TG). The experimental results showed that the organosilane-modified catalysts showed a significant improvement in CO₂ conversion, methanol selectivity, and a significant enhancement in stability compared to UiO-66. This may be attributed to the fact that the entry of silicon in the organosilanes into the UiO-66 skeleton allowed its structural stability to be maintained, which could better confine the more uniformly distributed CuO nanoparticles. In addition, the catalysts were tested for their catalytic performance in the synthesis of methanol by CO₂ hydrogenation. The highest spatiotemporal yield of CH₃OH was achieved at 180 ℃ and 3 MPa under the reaction conditions, reaching 72.4 mmol/(g_MeoH·h).
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  Alkyl mercaptan modified nanoporous electrocatalyst and

  GU Xiantao, LIU Yirong, CHEN Xiaochun, GUO Xingwang, ZHOU Zhongkang, JI Qiaozhen, WU Yan, GAO Yuxiang, ZHANG Geng, ZHU Shengli

  Journal of Functional Materials. 2025, 56(1): 1139-1146. https://doi.org/10.3969/j.issn.1001-9731.2025.01.018

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  Electrocatalytic nitrogen reduction reaction (ENRR) has been regarded as an emerging artificial nitrogen fixation process, due to the mild reaction conditions and strong adaptability to renewable energy. However, the applied potential of the ENRR is close to that of the hydrogen evolution reaction (HER), resulting in a decrease in the selectivity of the nitrogen reduction reaction. In this paper, the hydrophobic modification of the nanoporous FeNbMoP electrocatalyst was carried out by coating n-octadecyl mercaptan, which inhibits the HER, increases the contact between nitrogen molecules and the active site on the catalyst, thereby the ammonia yield and Faraday efficiency is improved. The ammonia yield of the modified ENRR catalyst is 15.45 μg/(h·cm²) with the Faraday efficiency of 6.28%, which shows a significant improvement in performance compared with the unmodified FeNbMoP catalyst. This method may provide a new insight for the rational design of nitrogen reduction catalysts.
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  Experimental study on carbonation of modified steel slag micro powder concrete

  HUANG Bangbiao, ZHANG Yu, HUANG Bingzhang, YANG Zijian, LI Guangfeng, PAN Lihua

  Journal of Functional Materials. 2025, 56(1): 1147-1155. https://doi.org/10.3969/j.issn.1001-9731.2025.01.019

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  In this paper, the carbonation properties of modified steel slag micronized concrete were investigated, and the effects of different dosages of zeolite powder and steel slag micronized powder on the splitting tensile strength and carbonation depth of concrete were tested by the rapid carbonation method. The test results showed that the compressive strength and splitting tensile strength of concrete with moderate admixture of steel slag and zeolite powder were optimal, but excessive admixture would lead to a decrease in strength. The carbonation test showed that the change in splitting tensile strength after different carbonation ages was the same as that before carbonation, and the carbonation had a tiny effect on splitting tensile strength. With the increase of time, the splitting tensile strength gradually increased, the carbonation depth of the concrete after carbonation increased with time, and the admixture of zeolite powder decreased the anti-carbonation performance, but the effect on the activity of steel slag micronized powder was small. A moderate amount of zeolite powder can improve the structure and carbonation resistance, and an excessive amount will accelerate the carbonation. The quadratic polynomial nonlinear regression model established by Matlab successfully describes the relationship between the carbonation depth and time of concrete specimens, which provides an important reference value for the prediction of the carbonation depth of concrete structures.
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  Cu²⁺-doped BiOBr nanostructures with enhanced adsorption and photocatalytic activity

  HU Yue, FANG Guoli, TIAN Jing, WEI Jie, YAN Xianghui, ZHANG Gang

  Journal of Functional Materials. 2025, 56(1): 1156-1163. https://doi.org/10.3969/j.issn.1001-9731.2025.01.020

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  xCu-BiOBr nanostructures are synthesized by one-pot solvothermal method, and the effects of copper doping concentration on the adsorption and photocatalytic activity are investigated for xCu-BiOBr nanostructures. It is indicated that copper doping is beneficial to fabricate uniform xCu-BiOBr nanostructure in morphology and size, increase the specific surface area of xCu-BiOBr nanostructure, and promote its adsorbability. The monolayer saturation adsorption capacity of the 0.04Cu-BiOBr nanostructure is 9.059 mg/g for Rh B, which is 1.6 times higher than that of BiOBr. Additionally, copper doping introduces an impurity energy level, and thus the adsorption band edge of xCu-BiOBr shows a little red-shift with increasing its copper concentration. Notably, the 0.02Cu-BiOBr has higher visible-light-driven photocatalytic activity than the other obtained xCu-BiOBr nanostructures. With further upgradation of copper concentration, the photocatalytic activity of xCu-BiOBr maybe decreased. It is attributed to that copper doping in xCu-BiOBr nanostructures mainly form displacement solid solution, which cause oxygen vacancies around it. These vacancies easily capture photo-generated electrons, thereby maybe alter the migration pathway and recombination of photo-generated electrons and holes. Nevertheless, excessive copper doping increases the degree of lattice distortion in xCu-BiOBr, and may form carrier recombination centers to hinder the migration the photo-generated electrons and holes. Therefore, excessive copper doping can lead to a decrease in the photocatalytic activity of xCu-BiOBr.
Process & Technology
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  Preparation of modifiednano TiO₂ and study on photocatalytic degradation of wastewater

  WU Dan, LIU Bozhen, XU Zhou

  Journal of Functional Materials. 2025, 56(1): 1164-1170. https://doi.org/10.3969/j.issn.1001-9731.2025.01.021

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  Ce-TiO₂ composite photocatalytic material was prepared by hydrothermal method using Ti(SO₄)₂ and Ce(NO₃)₃·6H₂O as raw materials.The lattice structure, microstructure, and spectral properties of Ce-TiO₂ composite photocatalytic materials were characterized by XRD, SEM, UV-Vis, Raman, infrared spectroscopy, PL and other methods. Rhodamine B (RhB) solution was used to simulate wastewater and a 300 W xenon lamp was used as a light source to investigate the effect of Ce doping on the photocatalytic performance of Ce-TiO₂.The results indicated that the crystal structure of Ce-TiO₂ composite photocatalytic materials prepared by hydrothermal method belonged to the rutile phase, with irregular spherical particles in morphology.The doping of Ce reduced the bandgap width of Ce-TiO₂, and the absorption edge underwent a red shift.Photoluminescence testing showed that the intrinsic emission peak of TiO₂ decreased with increasing Ce doping content.The photoluminescence intensity of 0.9%Ce-TiO₂ was the lowest, with absorption edge and bandgap width of 474 nm and 2.62 eV, respectively.The highest degradation rate of RhB by 0.9%Ce-TiO₂ at 30 min could reach 99.6%, which was 82.8% higher than pure TiO₂.The photocatalytic degradation of RhB by Ce-TiO₂ followed a first-order reaction kinetics equation, and the correlation of the fitted equations exceeded 99%.
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  Preparation of Ce-MOFs/g-C₃N₄ composite and its photocatalytic reduction of carbon dioxide to carbon monoxide

  ZHANG Hui, SUN Yihui, LYU Yan, AN Shengli, GUO Ruihua, WANG Ruifen

  Journal of Functional Materials. 2025, 56(1): 1171-1178. https://doi.org/10.3969/j.issn.1001-9731.2025.01.022

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  Cerium metal organic framework (Ce-BTC) and graphite carbon nitride (g-C₃N₄) composites (Ce-BTC/g-C₃N₄) were synthesized by electrostatic self-assembly method using cerium nitrate and urea as raw materials and 1,3,5 benzoic acid as ligand. The composites were used to study the reduction of carbon dioxide to carbon monoxide, and the influence mechanism of Ce-BTC composite on the properties of g-C₃N₄ was explored. The structure, morphology, photoelectric properties and catalytic properties of the composites were studied by X-ray diffraction, infrared spectroscopy, scanning electron microscopy, UV-Vis absorption spectroscopy, fluorescence spectroscopy, impedance, photocurrent test and CO₂ reduction performance test. The results showed that the combination of Ce-BTC and g-C₃N₄ may change the layer spacing of g-C₃N₄, refine the crystal particles and improve the specific surface area of the sample, so that the composite sample can obtain higher visible light capture ability and carrier separation efficiency. When only 1 mL H₂O was added as the proton source, Ce-BTC/g-C₃N₄-3 had the best photocatalytic performance. When only 1 mL H₂O was added as the proton source, Ce-BTC/g-C₃N₄-3 had the best photocatalytic performance. The yields of CO and CH₄ were 19.02 μmol/(h·g) and 0.322 μmol/(h·g) respectively, which were 1.80 and 2.10 times higher than those of g-C₃N₄, respectively. The catalytic performance remained basically stable after cyclic test.
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  Influence of the inert carbon source on the microstructure and properties of

  PAN Xinlong, ZHANG Mingjun, WANG Bo, YANG Jianfeng

  Journal of Functional Materials. 2025, 56(1): 1179-1183. https://doi.org/10.3969/j.issn.1001-9731.2025.01.023

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  Two-step reaction sintering can reduce the residual silicon content in reaction-sintered silicon carbide. In this thesis, silicon carbide ceramics were prepared by two-step reaction sintering using nanocarbon black as the active carbon source, and excess carbon microspheres and diamond as the inert carbon source, respectively, and the reaction rates of the two inert carbon sources were analyzed and compared, as well as the effects on the mechanical and thermal properties of the silicon carbide ceramics. The results showed that the reaction rate of diamond was lower than that of carbon microsphere, and the residual silicon was more in the prepared sintered body under the same conditions of carbon density and sintering process. At 1 550 ℃ for 6 h, the microhardness of silicon carbide prepared by using high hardness diamond as the inert carbon source reache 2 488±133 HV, which was higher than that of silicon carbide prepared by using carbon microspheres. However, due to the high amount of low thermal conductivity residual silicon in the sintered body prepared using diamond as the inert carbon source, the thermal conductivity of the diamond-prepared silicon carbide 115 Wm·K at 1 550 ℃ for 6 h, which was lower than that of carbon microspheres used.
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  Preparation and properties of polyethylene glycol/fly ash shaped composite phase change materials

  YAN Zhenwei, GAO Jianming, MA Shujia, GUO Yanxia

  Journal of Functional Materials. 2025, 56(1): 1184-1192. https://doi.org/10.3969/j.issn.1001-9731.2025.01.024

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  The traditional template method for the preparation of mesoporous silicon based materials has the problems of high cost and complex synthesis process. In this study, taking the solid waste fly ash as the raw material, a mesoporous silicon base material s obtained by two steps, namely mineral phase activation and acid etching. The method has the advantage of simple process and low energy consumption. Polyethylene glycol(PEG) is used as phase change material, and the shaped composite phase change materials are prepared by vacuum impregnation process. The composition, morphology and thermal properties of the prepared materials are characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and thermogravimetry (TG). BET test shows that the specific surface area of this mesoporous silicon based material can reach 492 m²/g and the pore volume is 0.42 cm³/g. The composite phase change material can still maintain solid shape at 105 ℃. The maximum mass load of PEG4000 is 61.69% and the melting phase transition enthalpy is 57 J/g. Experiments show that the prepared shaped composite phase change material has reliable heat storage performance and good thermal stability. Therefore, fly ash based composite phase change material is a potential candidate material for green and environmental protection.
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  Preparation and properties of paraffin-based composite phase change energy storage mortar

  ZHANG Zhongkuo, CAI Wenhui, WANG Lei

  Journal of Functional Materials. 2025, 56(1): 1193-1199. https://doi.org/10.3969/j.issn.1001-9731.2025.01.025

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  Using paraffin and expanded graphite as raw materials,paraffin/expanded graphite composite phase change materials were prepared by melt adsorption method.The phase change materials were added to cement to prepare paraffin based composite phase change energy storage mortar. FT-IR, hydration heat release testingSEM and mechanical and thermal performance analysis were conducted to investigate the phase structure, microstructure, mechanical properties, and thermal conductivity of the sample.The results indicated that paraffin and expanded graphite formed paraffin/expanded graphite composite phase changed materials through physical interactions.The composite phase changed materials added to mortar would disperse in the form of particles in the cement slurry, making the surface of the mortar rough.The addition of phase change materials reduced the hydration heat release rate and cumulative hydration heat release of mortar.The compressive strength of phase change energy storage mortar decreased continuously with the addition of phase change materials.The compressive strength of energy storage mortar with a 20% addition of phase change materials was the lowest value of 10.63 MPa, which was 34.18% lower than that of pure mortar,and the density and thermal conductivity were reduced to the minimum values of 1730.2 kg/m³ and 0.372 W/(m·K), respectively. The heat storage coefficient and specific heat capacity reached their maximum values, which were 16.24 W/(m²·K) and 1.592 J/(kg·℃), respectively.The dynamic thermal performance analysis of the box model showed that the addition of phase change materials delayed the arrival time of the highest temperature and reduced the highest temperature of the box.The highest temperature of the energy storage mortar with a 20% addition of phase change materials was 28.0 ℃, and the time for the highest temperature to arrive was 8 385 s.
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  Preparation of chloro-sulfur co-doped carbon nitride and its photocatalytic properties

  JING Zhangxin, ZONG Gang, GAO Cun, REN Jing, XIE Tao

  Journal of Functional Materials. 2025, 56(1): 1200-1208. https://doi.org/10.3969/j.issn.1001-9731.2025.01.026

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  Graphite phase carbon nitrides (g-C₃N₄) co-doped with Cl and S were prepared by direct thermal polymerization with melamine as precursor, ammonium chloride as Cl source and thiourea as S source. The effect of Cl and S doping on the structure and photocatalytic performance of g-C₃N₄ was investigated. The samples were characterized and analyzed by X-ray diffraction (XRD), Fourier infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), specific surface area and aperture distribution (BET), and ultraviolet-visible light (UV-Vis). The effects of catalyst dosage, PH and substrate concentration on photocatalytic degradation of basic red 18 (BR18) were studied. The results showed that the photocatalytic performance of ClSCN2 was the best when the content of ammonium chloride was 0.4 g and thiourea was 1g. When catalyst dosage was 40 mg, pH=10 and substrate concentration was 5 mg/L, the degradation rate of BR 18 reached 92.6% in 120 min. The free radical capture experiment showed that the main active substances in the photodegradation process were ·O^-₂ and ·OH. The doping of Cl and S increased the specific surface area of g-C₃N₄ and provided more active sites for photocatalysis. At the same time, the doping of Cl and S replaced the N in g-C₃N₄, resulting in N defect, which improved the separation of photogenerated electrons and holes.
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  Effect of calcination temperature of indium tin hydroxide on structure and properties of ITO target

  ZHANG Beiwei, LU Yingdon, HUANG Zuo, MO Bin, FANG Zhijie, HUANG Shicheng

  Journal of Functional Materials. 2025, 56(1): 1209-1216. https://doi.org/10.3969/j.issn.1001-9731.2025.01.027

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  The density of the indium tin oxide (ITO) target depends on the sintering activity of the indium tin hydroxide powder, which is influenced by its structure and composition. However, the influence of the calcination temperature on the structure and properties of the ITO target is still unknown. In this work, the role of temperature on the structure of indium tin hydroxide powder and the sinter densification of ITO powder during the calcination of indium tin hydroxide powder was exposed. The XRD analysis showed that as the calcination temperature and/or time increased, the crystal size of the ITO powder increased. The ITO precursor powder calcined at 750 ℃ for 2 hours had a large specific surface area and high surface metal content, resulting in the prepared ITO target having a relatively high specific gravity, lower resistivity and a compact cross-sectional structure with few internal parts pores. The relationship between the calcination temperature of the precursor powder and the structural properties of the ITO target illustrated that the calcination temperature directly affected the cubic crystal formation of indium tin hydroxide powder. The structure of the produced ITO powder (specific surface area, composition of surface elements, particle size, etc.) was then changed. Finally, this result influence the density of the formed embryo and determineld the sintering density and electrical conductivity of the ITO target.
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  Preparation and conductivity study of niobium-doped apatite lanthanum silicate

  TIAN Xiaofeng, HUANG Zhiliang, SHANG Haixin, WANG Qichang

  Journal of Functional Materials. 2025, 56(1): 1217-1222. https://doi.org/10.3969/j.issn.1001-9731.2025.01.028

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  In this paper, the niobium-doped La_9.33Si_6-xNb_xO_26+0.5x (x=0.05, 0.10, 0.15, 0.20, 0.30, LSNO) electrolyte powder with high purity and impurity-free phase was successfully prepared by urea combustion method at 600 ℃ for 8-10 min, and LSNO ceramic body was obtained by pre-fired at 800 ℃ for 12 h, pressing and sintering at high temperature. The crystal structure, surface micromorphology and conductivity of the sample were analyzed by X-ray diffraction (XRD) scanning electron microscope (SEM), electrochemical impedance spectroscopy (EIS) and other test methods. The results show that Nb⁵⁺ successfully doped to replace Si⁴⁺ in [SiO₄] to form [Si(Nb)O₄]. With the increase of x, the lattice volume increased. The LSNO doped with niobium had high purity and still had La_9.33Si₆O₂₆ (LSO) P6₃/m apatite crystal structure, which can effectively improve the conductivity of lanthanum silicate electrolyte. The optimal doping amount was x=0.10, and the conductivity reached 8.81×10^-4 S/cm at 600 ℃.
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  Preparation and performance study of carbon nanotube modified solid waste concrete

  LIU Jinghong, FENG Penglong, YANG Jinrong, ZHANG Yan, ZHANG Lingbo, SHANG Wei

  Journal of Functional Materials. 2025, 56(1): 1223-1229. https://doi.org/10.3969/j.issn.1001-9731.2025.01.029

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  Using solid waste concrete with primary strength of C30 as recycled coarse aggregate, 50% iron tail sand was used to replace natural river sand, and multi-walled carbon nanotubes (CNTs) were selected as nano-reinforced materials to prepare carbon nanotube modified iron tail sand reclaimed aggregate concrete. Through mechanical properties, water absorption, SEM (electron scanning microscope) and other characterization tests, the effects of carbon nanotube content and recycled coarse aggregate replacement rate on concrete properties were investigated. The test results show that CNTs were incorporated directly into the concrete mixing process,resulting in concrete with compressive,flexural,and splitting tensile strengths that exhibited a parabolic trend,initially increasing and then decreasing as they cure over time. When the amount of CNTs added 01%,the flexural strength and compressive strength of recycled concrete containing iron tailings reach the relatively highest values. The splitting tensile strength of recycled concrete containing iron tailings reache the highest value when 0.15% of CNTs added. The SEM test showed that appropriate CNTs could change the micro-interface structure of concrete, accelerate the early hydration process, and reduce the slump degree of concrete mixture. CNTs, as the nucleation site of cement hydration reaction, increased the reaction rate of cement in the hydration process. Combined with mesh filling and bridging, the toughness of the concrete was significantly improved, while the pore distribution optimized to form a higher density matrix.When using carbon nanotubes to enhance recycled coarse aggregates,the content of carbon nanotubes should not exceed 0.20% (mass fraction). Excessive CNTs content would cause the matrix to reunite, forming loose weak areas, which in the deterioration of the performance of the concrete.The prediction formula of compressive strength of solid waste concrete was established, and the feasibility of the formula was verified, which provided different methods for the numerical simulation of carbon nanotube modified solid waste concrete.
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  Preparation and properties of matrine/gelatin microcapsules

  LI Chaojun, LIU Ying, JIN Yuzhu, WANG Haiyang

  Journal of Functional Materials. 2025, 56(1): 1230-1236. https://doi.org/10.3969/j.issn.1001-9731.2025.01.030

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  Matrine/gelatin antibacterial microcapsules were prepared by emulsion crosslinking method using gelatin as wall material and matrine as core material. The effects of core wall ratio, stirring speed and types of crosslinking agents on the properties of microcapsules were investigated. The morphology and structure of the microcapsules were observed, and the drug loading rate, embedding rate, particle size distribution, antibacterial performance and release performance of the microcapsules were measured. The core-wall ratio was 1∶2, the stirring speed was 700rpm, and the drug loading rate and embedding rate of the microcapsules were 15.0% and 32.2% respectively. The bactericidal rate of 20mg/mL microcapsule for Escherichia coli and Staphylococcus aureus can reach 100%; The release rate of microcapsules in vitro was stable.