30 January 2021, Volume 52 Issue 1
    

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    Focuses & Concerns (The Project of Chongqing Press Fund in 2020)
  • Research progress of impact of electron-phonon coupling on thermal conductance of thermal interface materials
    CHEN Yuzhong, SONG Chengyi
    Journal of Functional Materials. 2021, 52(1): 1001-1010. https://doi.org/10.3969/j.issn.1001-9731.2021.01.001
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    With the trend of Moore's law, the decreasing size and fine structure of semiconductor devices, batteries and bio-medical devices increasingly require the higher performance of thermal interface materials (TIMs). The micro/nano structure of these materials will influence the working efficiency and operation life of TIMs. To improve the quality of TIMs, researchers applied new methods on synthesis routine, structure modification, simulation modelling and measurements. In this article, the types of thermal interface materials, for example, single component TIMs, metal-polymer composite TIMs, nonmetal-polymer composite TIMs were summarized. The principle of electron-phonon coupling and its impact on the thermal transport within micro/nano-scale composite materials including lattice vibration, electron-phonon scattering were reviewed. Typical models of electron-phonon coupling like SMAMM was introduced. The equipment and methods such as time domain thermal reflection and 3ω for measuring the interfacial thermal conductance were also introduced, and the development and application of electron-phonon theory in the future was also prospected.
  • Synthesis and performance tunneling of barium ferrite/halloysite composite materials
    CHEN Zihao, MU Dawei, YANG Huaming, OUYANG Jing
    Journal of Functional Materials. 2021, 52(1): 1011-1016. https://doi.org/10.3969/j.issn.1001-9731.2021.01.002
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    Using Fe(NO3)3, Ba(NO3)2 and halloysite(Hal) as raw materials, M-type barium ferrite (BF) and BF@Hal composites were prepared by sol-gel method, and their magnetic properties were studied. X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM) and vibrating sample magnetometer (VSM) were used to characterize the structure, morphology and magnetic properties of the samples. The results show that the best synthetic conditions of BaFe12O19 were Ba2+/Fe3+ of 1∶11.8, pH value of 7.0, calcining temperature of 950 ℃, and holding time of 2 h. In the BF@Hal composite material, the proper addition of Hal could improve the magnetic properties of the material. The optimal amount of Hal was 0.05 g. The proper addition of halloysite made the Ms and Mr values of the BF@Hal composite material be better than those of single phase BF, and the Ms and Mr values increased from 40.51 and 21.84 Am2/kg to 48.69 and 26.33 Am2/kg, respectively.
  • Optical properties of rare earth luminescent ions (Er3+, Dy3+, Eu3+) doped Ce0.8Gd0.2O1.9
    LIU Yuanyuan, HAN Yaning, LI Yang, WANG Yan, ZHAO Wenyu, AN Shengli
    Journal of Functional Materials. 2021, 52(1): 1017-1021. https://doi.org/10.3969/j.issn.1001-9731.2021.01.003
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    Ce0.8Gd0.95M0.05O1.9 (M= Er3+, Dy3+, Eu3+) (CGMO) double doping solid electrolyte was prepared by glycine-nitric combustion method. UV-vis and PL spectrophotometer were used to detect the optical properties of CGMO at different sintering temperatures. Meanwhile, the CGMO grain boundary change rule at different sintering temperatures was monitored. The results showed that the best crystallization temperature of CGMO was 1673 K, which had the stronger photon and electron conduction ability. By comparing the SEM morphology, Ce0.8Gd0.95Dy0.05O1.9 electrolyte had the advantages of high sensitivity and strong feasibility, which had certain significance for improving the sintering conditions of GDC.
  • Preparation and corrosion resistance of micro-arc oxide ceramic coating on magnesium alloy surface
    YU Haoxun, MA Tingxia
    Journal of Functional Materials. 2021, 52(1): 1022-1025. https://doi.org/10.3969/j.issn.1001-9731.2021.01.004
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    MAO-GR /TiO2 coating was prepared on the surface of magnesium alloy by adding potassium fluoride titanate and GR/TiO2 powder into the electrolyte of micro-arc oxidation reaction by micro-arc oxidation method. The surface morphology and structure of GR/TiO2 powder were studied by SEM and FT-IR. SEM, XRD and elemental line scanning were used to study the surface morphology, phase structure and element distribution of MAO-GR/TiO2 coating, and the corrosion resistance of MAO-GR/TiO2 coating was studied by three-electrode technology. The results showed that nano TiO2 could be grafted onto the surface of GO by sol-gel method to generate GR/TiO2 powder. MAO-GR/TiO2 coating was mainly composed of Mg2TiO4 phase, Mg3(PO4)2 phase, Mg and MgO phase. Taking the interface as the boundary, Ti, P and O elements on the coating side were higher than those on the substrate side, and Mg elements on the substrate side were higher than those on the coating side. The corrosion potential of MAO-GR/TiO2 coating was -0.723 V and the corrosion current density was 8.96×10-8 A/cm2. Compared with magnesium alloy substrate and MAO coating, the corrosion potential of MAO-GR/TiO2 coating was increased by 48.3% and 36.7%, which indicated that MAO-GR/TiO2 coating could significantly improve the corrosion resistance of magnesium alloy substrate.
  • Preparation of carboxylated superparamagnetic Fe3O4 nanoparticles by solvothermal method and its magnetochromism
    XU Peijun, FENG Xin, WANG Linjiang, MENG Shuai, GUO Xinliang, GAO Shanglin
    Journal of Functional Materials. 2021, 52(1): 1026-1032. https://doi.org/10.3969/j.issn.1001-9731.2021.01.005
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    Superparamagnetic Fe3O4 nanoparticles have the unique advantages of both magnetic materials and nanomaterials. As a kind of functional materials, which are widely used in the fields of information storage, catalyst, magnetic fluid, biomedicine, and so on. Superparamagnetic Fe3O4 nanoparticles were prepared by solvothermal method using FeCl3·6H2O and CH3COONa as raw materials, HOCH2CH2OH as dispersion medium and C6H5Na3O7·2H2O as surfactant. The effects of reaction time and surfactant concentration on the particle size and morphology of Fe3O4 nanoparticles were studied. The structure and phase composition of Fe3O4 nanoparticles were characterized by X-ray diffractometer (XRD), infrared spectrometer, synchronous thermal analyzer, Zeta potentiometer, scanning electron microscope (SEM) and sample magnetometer (VSM). The results show that the active groups of surfactant were bonded to the surface of Fe3O4 nanoparticles to improve its dispersibility and stability. The particle size of Fe3O4 nanoparticles decreased with the increase of reaction time and surfactant concentration. Superparamagnetic Fe3O4 nanoparticles were periodically arranged to form photonic crystals under the balance of magnetically induced attraction and electrostatic repulsion. At the same time, with the decrease of the intensity of the external magnetic field, the reflection peak of Fe3O4 photonic crystal had a red shift and shifted to the direction of long wavelength.
    • Review & Advance
  • Research on polyvinylpyrrolidone as drug delivery carrier materials
    ZHAN Shiping, LIU Sixiao, WANG Jingchang , ZHAO Qicheng, WANG Weijing
    Journal of Functional Materials. 2021, 52(1): 1033-1038. https://doi.org/10.3969/j.issn.1001-9731.2021.01.006
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    Polymeric as the drug delivery carrier materials have a good biocompatibility and biodegradability, and can selectively release drugs, so the utilization ratio and the side effects of the drug can be improved. Therefore, the polymer as the drug delivery carrier materials is a focus of the current research. Polyvinylpyrrolidone is a green polymer material with the excellent solubility and low toxicity, and has been widely used in the field of medical materials. The basic characteristics of the drug delivery carrier materials were introduced, and the property, synthetic process, modification and application of polyvinylpyrrolidone were mainly discussed. The application prospect and development trend of polyvinylpyrrolidone as the anticancer drug carrier materials were also forecasted.
  • Influence mechanism of molybdenum disulfide on performance of cathode materials for lithium sulfur batteries
    CUI Chunjuan, LIU Yanyun, LIU Yue, LAI Yuanyuan, WANG Cong, LIU Wei, HU Ping, WEI Jian
    Journal of Functional Materials. 2021, 52(1): 1039-1046. https://doi.org/10.3969/j.issn.1001-9731.2021.01.007
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    Carbon black has the advantages of good electrical conductivity, low price, stable source and mass quantities of production. It can effectively improve the conductivity of sulfur-based cathode materials, the dynamic performance of electrodes and the rate performance of lithium sulfur batteries. Molybdenum disulfide (MoS2) contains metal-sulfur bonds, which can combine with polysulfide by electrostatic or chemical bonds, so two-dimensional layered MoS2 can effectively inhibit the shuttle effect of lithium-sulfur batteries. In this paper, sulfur/carbon black composites and pomegranate-like sulfur/carbon black/layer MoS2 composite cathode materials were prepared by ball milling and hydrothermal method, and the properties of the composite cathode materials were studied. The results show that sulfur/carbon black/layer MoS2 composite cathode material could effectively increase the specific capacity of the batteries, improving the rate performance and cycle stability of the batteries. The initial capacity could reach 767.9 mAh/g at 0.2 A/g.
  • Progress in phase engineering of transition metal dichalcogenides and application
    LI Hanxiao, LIU Shuai, WANG Ruixue, CHEN Guoxiang
    Journal of Functional Materials. 2021, 52(1): 1047-1052. https://doi.org/10.3969/j.issn.1001-9731.2021.01.008
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    The properties of transition metal dichalcogenides (TMDCs) are highly determined by the phase. In recent years, phase engineering has been received much attention in the modification of transition metal dichalcogenides. The properties of the TMDCs could be directly influenced by both the phase transition process and the stability of each phase. In this paper, the method of phase transition has been introduced based on the latest progress in phase engineering of TMDCs, such as direct synthesis and induced phase transition. Meanwhile, the relationship between the phase transition and properties of TMDCs have been discussed systematically. Furthermore, the applications of phase transitioned TMDCs in catalysis, electronic devices, and energy storage have been introduced. Finally, the current challenges of phase engineering on TMDCs were proposed, and the directions for further investigation were pointed out.
  • Synthesis, properties and applications of fluorescent carbon dots
    MAO Huihui, XUE Mingyue, HAN Guocheng
    Journal of Functional Materials. 2021, 52(1): 1053-1063. https://doi.org/10.3969/j.issn.1001-9731.2021.01.009
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    In this study, carbon dots (CDs) are new fluorescent carbon nanomaterials with a particle size of less than 10 nm. Compared with traditional quantum dots, these quantum dots have the characteristics of relatively simple preparation, abundant raw material sources, low cytotoxicity, good water solubility, good biocompatibility, easy functional modification, low price, easy large-scale synthesis, etc. Due to its superior performance, carbon dots have shown good potential application prospects in electrochemical analysis and biosensors, fluorescence imaging, drug delivery, photoelectric catalysis, light emitting devices, environmental energy and other fields. Researchers have conducted extensive scientific research on carbon dots and made important progress. In this article, the recent progress in green synthesis methods of carbon dots was reviewed and their formation mechanisms and applications in biosensing, biological imaging, drug delivery, luminescent materials and photocatalysis were summarized as well. The future development of fluorescent carbon point was prospected.
  • Modification strategies of nickel rich ternary cathode materials nickel-cobalt lithium aluminate
    ZHOU Xin'an, FU Xiaolan, WANG Chao, WANG Bo, ZHAO Dongni, ZHANG Feilong, LI Shiyou
    Journal of Functional Materials. 2021, 52(1): 1064-1069. https://doi.org/10.3969/j.issn.1001-9731.2021.01.010
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    The high-nickel ternary nickel-cobalt lithium aluminate cathode material (NCA) has a broad application prospect due to its high energy density and low cost, but also owns problems such as severe cation mixing, easy structural phase change and poor safety performance. In order to solve these problems, a lot of modification studies have been carried out on NCA materials in recent years. The recent modification strategies of surface coating, bulk doping, gradient and single crystal for NCA materials are reviewed. The research direction of NCA is prospected as well.
  • Research progress of preparation technology of β-Ga2O3 single crystal
    CHEN Boli, YANG Yifan, LENG Guoqin, HUANG Zhaohui, SUN Zhi, TAO Tianyi
    Journal of Functional Materials. 2021, 52(1): 1070-1077. https://doi.org/10.3969/j.issn.1001-9731.2021.01.011
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    Beta-type gallium oxide (β-Ga2O3) has the advantages of wide band gap, high breakdown strength and low manufacturing cost. It is a high-quality alternative material for the preparation of third-generation semiconductors. Methods for preparing β-Ga2O3 materials include Czochralski method, edge-defined film-fed growth method, floating zone method and Bridgeman method. Because the material is volatile at high temperature, it is easy to generate more impurity gases, the shape of the crystal is difficult to control, and more defects are generated in the single crystal. In this article, the current preparation methods of β-Ga2O3 was summarized, and the processes, principles and related applications of various preparation methods were introduced. The characteristics of these methods and processes were compared, the main reasons for the low quality of the products were analyzed, and solutions were proposed. Finally, the reference for future research on optimizing the preparation process of β-Ga2O3 material was provided.
  • Progress in functionalized Lyocell fibers
    ZHU Xueqi, PENG Kang, ZHANG Huihui, YANG Gesheng, SHAO Huili
    Journal of Functional Materials. 2021, 52(1): 1078-1085. https://doi.org/10.3969/j.issn.1001-9731.2021.01.012
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    Lyocell fiber has attracted more and more attention because of its green renewable raw materials, environmentally friendly production process and recyclable spinning solution. It is one of the most promising new fibers with bright market prospects. At the same time, people's demand for functional fiber products is increasing. Using both physical and chemical methods to obtain different functionalized Lyocell fibers is the main research direction of researchers now. In this paper, the latest research of the functionalized Lyocell fibers was reviewed, and the main problems and future direction of Lyocell fabrics were summarized.
  • Research progress on the electrode material of transition metal sulfide in the supercapacitor
    ZHANG Meng, LIU Xiujun, ZHANG Qingyin
    Journal of Functional Materials. 2021, 52(1): 1086-1090. https://doi.org/10.3969/j.issn.1001-9731.2021.01.013
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    The transition metal sulfide is a novel electrode material with superior performance in supercapacitor due to its great variety, low price, multiple oxidation states and high theoretical specific storage. It was first described in this article that the approaches of preparing transition metal sulfides, such as hydrothermal and electrochemical method. Furthermore, the pathways about enhancing the electrochemical property of transition metal sulfide in supercapacitors were introduced from two aspects. On the one hand, nanomaterials with porous structures and large surface area were controlled synthesized, which increased the efficiency of ion transmission through structural control. On the other hand, doping transition metal sulfide with other materials of energy storage including carbon materials, metal oxides, conductive polymers, synergetic effect of these materials could be presented completely. Finally, combined with the current research progress, it was proposed the developmental direction and challenges on the electrode materials of transition metal sulfide, which provided a guidance for their investigation in depth.
  • Research and application progress of new two-dimensional layered metal MXene on supercapacitors
    CHENG Peidong, CHEN Weihua, AI Yunlong, LIANG Bingliang, HE Wen, ZHANG Jianjun
    Journal of Functional Materials. 2021, 52(1): 1091-1103. https://doi.org/10.3969/j.issn.1001-9731.2021.01.014
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    Dimensional transition metal carbides/nitrides (MXene) obtained by removing the MAX phase A layer by liquid phase etching and other methods is a new member of the two-dimensional material family. The unique two-dimensional structure and surface chemical composition make it show good metal conductivity, hydrophilicity, excellent flexibility and ion intercalability, which shows great potential in the research and application field of supercapacitors and has attracted wide attention. But MXene still has many problems. First, the flakes are easy to stack, which greatly reduces the effective contact area of the material and the electrolyte. During the etching process, the position where the chemical bond is broken has high activity and easily reacts to form surface groups, which has a greater influence on the electrochemical performance. The use of strong corrosive liquids in the synthesis process will also cause many problems such as safety and environment. In this article, the structure, properties and preparation methods of MXene were briefly summarized. The research progress and direction of MXene in the field of supercapacitors in recent years were reviewed. It aimed to find ideas to solve many problems of MXene, looking forward to providing references for the preparation of high-performance MXene supercapacitor electrode materials.
    • Research & Development
  • Effect of WC particle size on microstructure and diffusion at the interface of WC/HSS composites
    LI Gang, ZHANG Hongmei, ZHAO Dadong, WANG Chao, LI Hongnan, LI Na, MENG Linghao, JIANG Zhengyi
    Journal of Functional Materials. 2021, 52(1): 1104-1114. https://doi.org/10.3969/j.issn.1001-9731.2021.01.015
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    Tungsten carbide/high strength steel (WC/HSS) composites were prepared by cold pressing and vacuum sintering. The microstructure and micro-hardness of the composites with different particle sizes were analyzed by optical microscopy (OM), scanning electron microscopy (SEM), ultra-high temperature laser confocal microscope and microhardness tester. The results show that WC density tended to increase as the average grain size of WC decreased. When the particle size of WC powder was 100 nm, the density reached 91.22%. The micro-hardness of WC increased with the decrease of WC particle size. When the particle size of WC powder was 100 nm and sintering temperature was 1 320 ℃, the micro-hardness of WC reached about 1680 HV0.1. The micro-hardness of WC near the bonding interface was higher than that of other parts. The microhardness of HSS core varied little with WC particle size, which was about 500 HV0.1. When the particle size of WC powder particles was 200 nm, a transition layer with a certain width was formed at the interface between WC and HSS, and the combination between the two materials was metallurgical. The iron element in the HSS matrix diffused into WC structure contacted with it, resulting in a certain width of a fusion layer, and the composite interface was relatively well bonded. When the average particle size of WC powder was 200 nm, W, Fe and Co elements significantly diffused in the transition zone at the interface. With the increase of WC particle size, the trend of elements diffusion decreased. When the particle size of WC powder particles was 500 nm, no obvious diffusion of Fe and W elements occurred at the interface of the composite, but only a certain degree of diffusion of Co element occurred.
  • First principles study on the electrical conductivity of Sb and La co-doped SnO2
    LIANG Yuting, WANG Jingqin, ZHU Yancai, SUN Shaoqi, ZHANG Zhe, LI Haotian
    Journal of Functional Materials. 2021, 52(1): 1115-1120. https://doi.org/10.3969/j.issn.1001-9731.2021.01.016
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    The supercell models about Sb, La single-doped and co-doped SnO2 were constructed by software based on the first principle method of density functional theory. The crystal structure, band structure, density of states and population were calculated by geometrically optimizing these models. The results showed that the thermal stability of La-Sb co-doped material was the highest, and it was still the direct band gap material after doping. Because the 5s, 5p states of Sb atom and 5p states of La atom could introduce impurity levels into the bottom of the conduction band, the conduction band move down, the band gap became smaller, and the energy required for the carrier's transition decreased. As co-doping, the degree of electron co-ownership was the highest, and the electron transfer was intensified. After co-doping, the conductivity of SnO2 material increased the most. The analysis results could be used as the theoretical basis for the development for materials in the future.
  • Study on preparation and performance of composite PTFE anodized self-lubricating film by centrifugation
    MA Yunzan, CHEN Kun, LIU Kejia, LIU Qi
    Journal of Functional Materials. 2021, 52(1): 1121-1126. https://doi.org/10.3969/j.issn.1001-9731.2021.01.017
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    On the basis of porous anodic aluminum alloy oxide film, the centrifugation technology was applied to preparation of Al2O3/PTFE composite self-lubricating film in this paper. The Al2O3/PTFE composite film prepared by the centrifugation and the static immersion method were respectively characterized by means of metallographic microscope, microhardness tester, X-ray diffraction, scanning electron microscope, energy dispersive spectroscopy, friction and wear tester, and electrochemical workstation. The results shows that the thickness of the centrifugation prepared Al2O3/PTFE composite film was 123.4 μm, the hardness was 512 HV, and that the friction coefficient (average value) was reduced to 0.119, which was 55% lower than that of the composite film prepared by static immersion method. The impedance of the low frequency region (10-2 Hz) was increased about 2 orders of magnitude. It indicates that a compact filled and attached Al2O3/ PTFE composite film could be prepared by the centrifugation, which had higher hardness, wear resistance, self-lubrication performance and corrosion resistance. The Al2O3/PTFE composite self-lubricating film prepared by the centrifugation had some application value and prospect.
  • Low temperature synthesis and negative thermal expansion of Sc2W3O12
    ZHANG Zhiping, YUAN Hui, LEI Yang, QIU Jianchun, ZHANG Fang, LIU Hongfei
    Journal of Functional Materials. 2021, 52(1): 1127-1132. https://doi.org/10.3969/j.issn.1001-9731.2021.01.018
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    Sc2W3O12 powder was synthesized at low temperature visa chemical co-precipitation method. The phase composition, crystal structure and morphology of the samples were investigated by using the thermogravimetry (TG), differential scanning calorimeter (DSC), X-ray diffractometer (XRD), Raman spectrometer (Raman), high resolution transmission electron microscope (TEM), energy dispersive X-ray spectroscopy (EDX) and scanning electron microscope (SEM), respectively. The negative thermal expansion properties of Sc2W3O12 were analyzed by using the high-temperature XRD. The results indicate that orthorhombic Sc2W3O12 was successfully synthesized by heating the precursor at 200 ℃, and the precursor was prepared in the solution with a pH value of 7. Low temperature synthesis of Sc2W3O12 with high purity was realized through co-precipitation method. Sc2W3O12 showed anisotropic negative thermal expansion properties in 25-500 ℃, and the coefficients of thermal expansion (CTEs) along a, b and c axes were -8.21×10-6 ℃-1, 1.13×10-6 ℃-1 and -6.05×10-6 ℃-1, respectively. The intrinsic volumetric CTE (αV) was -13.12 × 10-6 ℃-1, and the linear CTE (αl) was -4.37×10-6 ℃-1 (αV= 3αl).
  • Research on mechanical properties and durability of hybrid fiber reinforced concrete materials
    ZHUO Meirong, ZHANG Xuemei
    Journal of Functional Materials. 2021, 52(1): 1133-1138. https://doi.org/10.3969/j.issn.1001-9731.2021.01.019
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    Single fiber and hybrid fiber reinforced concrete were prepared by doping polypropylene fiber and carbon fiber. The flexural strength and splitting tensile strength of single fiber and hybrid fiber reinforced concrete were tested by electronic universal testing machine. The tensile fracture morphology of the samples was observed by scanning electron microscope (SEM). The chloride diffusion coefficient of the sample was measured by NEL diffusion test. The results showed that the flexural strength, splitting tensile strength and durability of hybrid fiber reinforced concrete(HFRC-B) were better than those of polypropylene fiber reinforced concrete(PFRC-A) and carbon fiber reinforced concrete(CFRC-B). The comprehensive properties of HFRC-B samples were excellent. The bending strength of HFRC-B samples was up to 8.4 MPa, the average splitting tensile strength was up to 3.78 MPa, and the chloride diffusion coefficient was 2.26×10-12 m2/s. The SEM analysis showed that carbon fiber, polypropylene fiber and concrete matrix were well combined. The pull-out effect of carbon fiber and the toughness of polypropylene fiber not only ensured the high strength and toughness of hybrid fiber-reinforced concrete, but also improved the tensile strength and bending resistance of hybrid fiber-reinforced concrete. The durability of hybrid fiber reinforced concrete was better than that of single fiber reinforced concrete, which showed the positive hybrid effect of hybrid fiber. Hybrid fiber could effectively reduce the formation and propagation of microcracks in concrete, improving the anti cracking effect of concrete and the durability of concrete materials.
  • The electronic structure and optical properties of C-Nb doped TiO2: a first-principles study
    ZHU Haixia
    Journal of Functional Materials. 2021, 52(1): 1139-1144. https://doi.org/10.3969/j.issn.1001-9731.2021.01.020
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    Using the first-principle calculations, the electronic structure and optical properties of C, C and double Nb doped TiO2 system were studied. The system of C, C and double Nb doped TiO2 was constructed. By comparing the total energy of various C and double Nb doped TiO2 configurations, it is found that the C and double Nb near neighbor compensation co-doping configuration was the most stable. For C atom single doped TiO2, there were three subbands which were mainly composed of C-2p orbital in the band gap, but there were some gap subband occupied partially electrons, which would become a new electron-hole recombination center in the photocatalytic process, reducing the efficiency of photogenerated electron separation. For the system of C and double Nb compensation doped TiO2, there were three band gap states in the band gap, which were mainly composed of the coupling of Nb-4d orbit and c-2p orbit. At this time, because two Nb atoms provided enough electrons to compensate for the double acceptor behavior of C atom, the band gap was completely occupied by electrons, eliminating the defects of C single doped TiO2, and further improving the quantum efficiency of photogenerated electrons. Finally, the optical absorption spectra of pure TiO2 and C and double Nb doped TiO2 system were calculated. The results show that the optical absorption spectra of C and double Nb co-doped TiO2 system were extended to the visible region.
  • Experimental of mechanical properties and mechanism for the eutectic Sn-Bi alloys under different temperatures and strain rates loading
    LIANG Bin, HU Peng, NI Yuan, FENG Gaopen, ZHOU Jiequn, BAI Yunshan, NIU Gongjie, NIU Wei, ZHOU Yanliang
    Journal of Functional Materials. 2021, 52(1): 1145-1155. https://doi.org/10.3969/j.issn.1001-9731.2021.01.021
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    The mechanical deformation characteristics of the Sn-58wt.%Bi alloys were investigated by tensile tests combined with microstructure observation. The effects of strain rate and temperature on mechanical deformation behavior were investigated. Tensile tests reveal that the increasing of temperature improved the ductility of the alloys. However, the ductility significantly deteriorated at high strain rate. The fracture surface microstructure of Sn-58Bi alloys were examined using a scanning electron microscope. The results show that there existed different deformation mechanisms applying different strain rates and temperature. The deformability of the alloy decreased at high stain rate and low temperature, which was mainly cleavage fracture. This impact of strain rate on the deformability appeared weaker due to the enhancement of the interface sliding at high temperature. With the increase of temperature, it gradually changed to quasi cleavage fracture, which mainly consisted of dimple, tearing edge and cleavage surface, while intergranular dimple fracture and cleavage fracture were the main comprehensive fracture under high loading rate.
  • Study on the effect of washing time on the properties of high nickel LiNi0.8Co0.1Mn0.1O2 ternary materials
    WANG Entong, JIANG Shanshan
    Journal of Functional Materials. 2021, 52(1): 1156-1160. https://doi.org/10.3969/j.issn.1001-9731.2021.01.022
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    The ternary materials of high nickel LiNi0.8Co0.1Mn0.1O2(LNCM) were washed in aqueous solution by solution washing and high temperature vacuum drying.The pH value, soluble lithium content, BET, phase structure and surface morphology of high nickel LNCM ternary materials were measured by chemical analysis, BET tester, XPS and SEM.The effect of washing time on the physical and electrochemical properties of high nickel LNCM ternary materials was studied.The results showed that the residual Li2CO3 and LiOH on the surface of high nickel LNCM ternary materials could be effectively removed by water washing and high temperature vacuum drying. The principle was mainly based on the dissolution mechanism of Li2CO3 and LiOH, rather than physical friction washing mechanism.As the washing time continued extending, the pH value of the washing solution and the specific surface area of the material increased slowly, while the residual alkali on the surface of the material, the discharge capacity of the material, the cycle retention rate and the rate performance decreased gradually.Therefore, the best washing time was 2 min. At this time, the pH value of the washing solution increased to 12.04, and the BET of the material increased to 0.3043 m2/g. The content of Li2CO3 and LiOH decreased to 0.1043% and 0.1382% respectively. The discharge capacity was 203.8 mAh/g. After 50 cycles of 1 C cycle, the capacity retention rate of the material was 86.23%. The discharge at 5 C ratio still kept 84.5% of the initial capacity of 2 C.
  • Study on organic modification and adsorption properties of hydrotalcite
    LUO Dandan, YUAN Jinhai, PENG Ying, MO Liqiong, XU Jing, XI Rui, ZHOU Jing, ZENG Cheng
    Journal of Functional Materials. 2021, 52(1): 1161-1166. https://doi.org/10.3969/j.issn.1001-9731.2021.01.023
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    Cetyltrimethylammonium bromide (CTMAB) was used to organically modify the magnesium aluminum hydrotalcite (LDH). XRD, SEM, Raman mapping and other characterizations proved that the modified hydrotalcite (C-LDH) had a good layer in the structure, and the modifier CTMAB entered the inside of the hydrotalcite. LDH and C-LDH were used to investigate the adsorption capacity of organic pollutants (direct black G) and heavy metal ions (Pb2+、Cr6+、Zn2+、Cu2+). It proved that the adsorption capacity of C-LDH for direct black G and heavy metal ions was improved compared with that before modification. The results of simultaneous adsorption experiments of C-LDH on direct black G and heavy metal ions showed that it was a cooperative adsorption on direct black G and Cr6+ ions, but a competitive adsorption on Pb2+, Cu2+ and Zn2+ ions. According to the thermodynamic and kinetic model analysis of the C-LDH adsorption process, the adsorption process of C-LDH for direct black G, Pb2+, Cu2+ and Zn2+ ions was more in line with the Freundlich isotherm adsorption model, and the Cr6+ ion adsorption process was in accordance with the Langmuir isotherm adsorption model. The adsorption behavior of -LDH to direct black G and heavy metal ions conformed to the quasi-first-order kinetic equation.
  • First principles calculations of electrical and magnetic properties of four types of intrinsic charged defects in two-dimensional BN
    LIU Xuefei, LYU Bing, LUO Zijiang
    Journal of Functional Materials. 2021, 52(1): 1167-1172. https://doi.org/10.3969/j.issn.1001-9731.2021.01.024
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    Intrinsic defects are the most common defects in semiconductors. The study of the electrical and magnetic properties of intrinsic defects under the condition of charging is of great importance to the in-depth understanding of the properties of semiconductor materials. In this paper, based on the density functional theory, the intrinsic electronic structure, carrier effective mass, elastic modulus, Young's modulus and Poisson's ratio of two-dimensional hexagonal boron nitride (h-BN) were firstly calculated, and it was found that the carrier effective masswas anisotropic and the mechanical properties were isotropic. Then, the structure, electrical and magnetic properties of four kinds of intrinsic defects (VB, VN, BN, NB) in the most stable valence state of h-BN were discussed in depth. Combined with electron coordination configuration and spin state density, the magnetic moment generation mechanism of various defects in different valence states was explained.
  • Study on plastic deformation behavior of AZ31 magnesium alloy based onviscoplastic self-consistent model
    SU Hui, CHU Zhibing, XUE Chun, LI Yugui, MA Lifeng
    Journal of Functional Materials. 2021, 52(1): 1173-1179. https://doi.org/10.3969/j.issn.1001-9731.2021.01.025
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    The visco-plastic self-consistent (VPSC) model has a good applicability to the texture evolution and plasticity simulation of metal alloy materials under different loading modes. In this study, the extrusion AZ31 magnesium alloy tube was investigated, through the modified VPSC model, a crystal plastic mechanical model coupled with slip and twin was constructed to study the plastic deformation behavior of magnesium alloy under different loading modes from the perspective of micro deformation mechanism. The results of XRD, EBSD and other experiments were compared with the simulation results. It was found that the basal slip and tensile twinning were the main deformation mode in the early stage of deformation during axial compression. A high activity of the twins caused the crystal c-axis to rotate by about 90 °, which caused the basal texture to transfer to the extrusion direction in the {0002} pole figure and the texture to transfer to the TD direction perpendicular to extrusion direction in the {11-20} and {10-10} prismatic pole figure. The basal slip was the main deformation mode in the early stage of deformation during axial tension. With the increase of deformation, the pyramidal slip became the dominant deformation mechanism. The {0002} and {11-20} pole figure was almost unchanged and just the texture strength was increased as the strain increases. However the texture transferred to the extrusion direction in the {10-10} prismatic pole figure during axial tension was related to the large opening of the prismatic slip during axial tension in the ED direction.
  • Calculation of dissociation and transfer of hydrogen on Pt/α-Al2O3 surface
    LI Jianfei, WU Yayun, FU Xiaoying, WANG Bing, ZHOU Shixue
    Journal of Functional Materials. 2021, 52(1): 1180-1184. https://doi.org/10.3969/j.issn.1001-9731.2021.01.026
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    Based on the first principles, the adsorption, dissociation and mass transfer of H2 molecules on the Pt atoms and Pt4 cluster supported surface of α-Al2O3 were studied. The results show that, Pt atom and Pt4 cluster can form a relatively stable chemical adsorption on α-Al2O3 surfaces. In the adsorption process of H2 molecules, H2 molecules can be adsorbed on Pt atoms and dissociate to form Pt-H bonds. In this process, Pt atoms provide electrons and H atoms get electrons, then Pt and H overlap electron clouds to form PtH2 compounds. On single-atom Pt, the energy barrier of H overflowing to O atom is 1.46 eV. This process strongly absorbs heat, which shows that H is not easy to overflow. After the formation of PtH2 compounds, Pt atoms lose the role of adsorption and dissociation of H2. Pt4 cluster can adsorb and dissociate multiple H2 molecules, and the maximum overflow energy barrier of H is 0.70 eV. The overflow is a spontaneous, exothermic process, which is much lower than the overflow energy barrier of H on single-atom Pt. The reason is that the strong interaction between Pt-Pt in the Pt4 cluster disperses the interaction between Pt-H, and H is easy to overflow. During the mass transfer process of H from O atom to O atom on the surface of α-Al2O3, the Al atoms on the surface of α-Al2O3 have a strong hindrance to the mass transfer of H, and it is not easy for H to transfer on the stable surface of α-Al2O3.
    • Process & Technology
  • Experimental investigation on mechanical properties of large size shape memory alloy bars under different heat treatments
    KANG Liping, QIAN Hui, GUO Yuancheng, LI Zongao
    Journal of Functional Materials. 2021, 52(1): 1185-1191. https://doi.org/10.3969/j.issn.1001-9731.2021.01.027
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    Cyclic tensile tests of shape memory alloy bars with four different diameters were conducted. The effects of heat treatment, cyclic loading-unloading numbers, strain amplitude on the mechanicalbehaviour of SMA bars were analyzed. The mechanical parameters such as residual strain, energy dissipation per cycle, secant stiffness, equivalent damping ratio were studied with different strain amplitude and cyclic loading-unloading numbers. The experimental results indicate that the phase transformation stress was higher when the heat treatment scheme was 400 ℃ for 15 min for 14 mm SMA bar. The mechanical properties were basically stable after 5 cyclic loading-unloading cycles, which should be considered in engineering applications. The test results provided a basis for the use of large size SMA bars in self-centering structures.
  • Microwave dielectric properties of (1-x)Ca0.61La0.26TiO3-xLa(Mg0.5Ti0.5)O3 ceramics prepared by microwave sintering
    LIU Jin, LIANG Bingliang, FANG Caisheng, HE Wen, CHEN Weihua, OUYANG Sheng, ZHANG Jianjun, AI Yunlong
    Journal of Functional Materials. 2021, 52(1): 1192-1196. https://doi.org/10.3969/j.issn.1001-9731.2021.01.028
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    (1-x)Ca0.61La0.26TiO3-xLa(Mg0.5Ti0.5)O3[x=0.35-0.60, (1-x)CLT-xLMT] microwave dielectric ceramics were prepared by microwave sintering. The effects of sintering process and composition ratio on its phase composition, microstructure and microwave dielectric properties were studied. The results show that the microwave sintering temperature of (1-x)CLT-xLMT ceramics was 100 ℃ lower than that of conventional sintering temperature, and the sintering time was shortened by 5/6. (1-x)CLT-xLMT ceramics have formed perovskite structures. With the increase of x, the dielectric constant ε showed a downward trend, the Qf value first increased to 28038 GHz and then decreased to 6940 GHz, and the temperature coefficient of resonance frequency τf kept decreasing. The excellent comprehensive microwave dielectric properties of ε=47, Qf=19 257 GHz and τf=7.9×10-6/℃ could be obtained when x=0.40, 1575 ℃ and 30 min. It could be used in the field of mobile communications.
  • Preparation of CDC/SiC composite material via in-situ growth method
    LUO Qingwei, JIAO Fei, ZOU Xiangyu, WEI Xueling
    Journal of Functional Materials. 2021, 52(1): 1197-1201. https://doi.org/10.3969/j.issn.1001-9731.2021.01.029
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    Application of Silicon carbide (SiC) ceramics is limited due to its large brittleness, low impact toughness and bad process ability. Carbon-based carbon (CDC) has high specific surface area, developed nanopores structure, narrow pore size distribution and precise adjusTable Carbide-derived carbon materials have shown unique performance advantages and broad application prospects in the fields of friction self-lubrication, supercapacitors, gas storage, catalyst support, etc. In situ growth technology has the advantages of low cost, easy operation and suitable for industrial mass production. CDC/SiC composites were successfully prepared on SiC ceramic surface by in situ growth method. The relationship between the properties of CDC/SiC composites and the surface properties of SiC ceramics was studied by means of laser confocal microscope, high temperature friction and wear testing machine, microhardness tester and scratch tester. The results show that the friction coefficient and surface roughness of the CDC/SiC composites decreased with the decrease of the SiC ceramic matrix surface roughness. CDC/SiC composites possessed smooth surface with average friction coefficient of 0.136, obviously improving the wear resistance of the SiC ceramic matrix. The microhardness of CDC/SiC composites was about 348.6 HV, which was significantly lower than that of SiC ceramics. Preparation of CDC coating by in situ growth technique was expected to be an effective way to improve the surface properties of SiC ceramics.
  • Effect of fiber hybrid effect on mechanical and durability of concrete composites
    XU Chao
    Journal of Functional Materials. 2021, 52(1): 1202-1207. https://doi.org/10.3969/j.issn.1001-9731.2021.01.030
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    The mechanical properties and durability of hybrid fiber reinforced concrete composites were studied as the starting point. The contrast specimens CF-1 and hybrid fiber concrete specimens Cf-2, CF-3 and CF-4 were made by mixing carbon fiber (CF), steel fiber (UR) and glass fiber (SGF) in different proportions. The flexural properties of hybrid fiber reinforced concrete (HFRC) were analyzed by flexural tensile strength test and flexural toughness test, and the frost resistance and durability of hybrid fiber reinforced concrete were analyzed through frost resistance test and impermeability test. The results showed that with the increase of fiber types, the initial bending crack degree, ultimate flexural strength and strength growth rate of hybrid fiber reinforced concrete specimens were improved, and those of CF-4 were increased by 73.58%, 157.39% and 48.30% respectively compared with CF-1. The increased of fiber content could improve the toughening effect and ductility of concrete specimens, inhibit the initial crack and crack propagation of concrete specimens, and improve the flexural and flexural properties of concrete materials. The maximum flexural toughness coefficient of CF-4 was 99.58 and the maximum deflection was 30 mm. The addition of fiber could reduce the mass loss rate of concrete specimens in the process of freeze-thaw cycles, and enhance the frost resistance of concrete specimens. In the first 160 freeze-thaw cycles, the mass loss rate of CF-3 was less than 1.5%. The impermeability of concrete specimens increased with the incorporation of fiber, and the improvement of impermeability of concrete with three kinds of fiber was higher than that of single fiber. Hybrid fibers could enhance the durability of concrete specimens.
  • Influence of the mixing effect of steel fiber and carbon fiber on the mechanical properties of high performance concrete
    ZHANG Xuemei, ZHOU Meirong
    Journal of Functional Materials. 2021, 52(1): 1208-1213. https://doi.org/10.3969/j.issn.1001-9731.2021.01.031
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    By adding a kind of fiber and mixed fiber into the concrete matrix, high performance concrete specimens and mixed fiber high performance concrete specimens were prepared. Through the splitting tensile strength test and drop weight impact test, the influence of steel fiber, carbon fiber and mixed fiber on the splitting tensile strength and impact resistance of high performance concrete specimens was studied, and the strengthening effect of mixing effect on the mechanical properties of the specimens was analyzed. The results of splitting tensile strength test showed that when only carbon fiber was added and the carbon fiber content was 1%,the improvement coefficient of splitting tensile strength of the sample increased by 50%.When only steel fiber was added, the more steel fiber was added, the smaller improvement coefficient of splitting tensile strength of the sample, and the splitting tensile strength of matrix high performance concrete was reduced. When the content of steel fiber was 4.0% and carbon fiber was 0.5%,the maximum mixing effect coefficient was 1.35,which produced positive mixing effect and improved the splitting tensile strength of high performance concrete. The results of impact performance test showed that the compressive strength of high-performance concrete was weakened by single carbon fiber. Although the compressive strength of the specimen could be strengthened by adding steel fiber alone, the ductility ratio of the specimen wasn′t high, and the mixed fiber had advantages over single fiber, which could enhance the impact resistance of high performance concrete. Therefore, the mixing effect of steel fiber and carbon fiber improved the splitting tensile strength and impact resistance of the specimens, and obviously improved the mechanical properties of high-performance concrete.
  • Biomimetic coating constructed by chitosan-albumin micelles on the surface of blood contact materials
    WANG Qian, LI Li, WANG Huanran, BIAN Qihao, WENG Yajun, CHEN Junying
    Journal of Functional Materials. 2021, 52(1): 1214-1220. https://doi.org/10.3969/j.issn.1001-9731.2021.01.032
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    As blood system itself is able to start the self-protective coagulation process to stop bleeding immediately in damaged vessel, blood-contacting materials will severely increase the risk of initiating a coagulation cascade. Therefore, it's vital to ensure the good blood compatibility of blood-contacting materials. In this paper, based on the unique properties of nanomaterials, a chitosan micelle was developed (CS-TPP) firstly by cross-linking agent sodium tripolyphosphate (TPP)-assisted self-assembly. Afterwards, bovine serum albumin was grafted on micelle surface via electrostatic interaction to form CS-TPP-BSA micelles for blood compatibility evaluation. The material characterization results showed that CS-TPP-BSA micelles were uniform, stable and well-dispersed. Besides, micelle size could be regulated by optimizing feed ratios and reaction condition. Micelles were then coated on material surface via dopamine, and blood testing indicated that CS-TPP-BSA coating could significantly enhance the blood compatibility, which provided a new surface modification method for blood-contacting materials.
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