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Atomic force microscopy as a tool for mechanical characterizations at the nanometer scale 原子力显微镜作为纳米尺度机械表征的工具
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1680/jnaen.23.00016
S. Dinarelli, A. Sikora, A. Sorbo, M. Rossi, D. Passeri
The design, optimization, and realization of innovative nanocomposite materials for advanced applications in a broad range of fields, from energy, automotive, photonics, to biology and nanomedicine require the capability to characterize their physical (e.g., mechanical, electric, magnetic...) properties from a multiscale perspective, in particular, not only at the macroscopic scale, but also at the nanometer one. In particular, methods are needed to characterize mechanical properties with nanometer lateral resolution, in order to understand the contribution of the nanosized features of the materials and the related phenomena. Atomic force microscopy (AFM) has been evolved from a tool for the morphological analysis of the sample surface to an integrated platform for the physicochemical characterization of samples. Current AFM systems host several advanced techniques for the mechanical characterization of materials with high speed and high lateral resolution in a broad range of mechanical moduli, e.g., from stiff samples (e.g., coatings, crystals…) to soft materials (e.g., polymers, biological samples...), in different environments (e.g., air, vacuum, liquid), and conditions (controlled humidity, controlled temperature). Here, short review of AFM based methods for the nanomechanical characterization of materials, in particular force spectroscopy, is reported, with emphasis on the materials which can be analyzed.
从能源、汽车、光子学到生物和纳米医学等广泛领域的先进应用,创新纳米复合材料的设计、优化和实现需要从多尺度角度表征其物理(例如,机械、电、磁……)特性的能力,特别是,不仅在宏观尺度上,而且在纳米尺度上。特别是,为了了解材料的纳米特征和相关现象的贡献,需要用纳米横向分辨率表征力学性能的方法。原子力显微镜(AFM)已经从一个用于样品表面形态分析的工具发展成为一个用于样品物理化学表征的综合平台。目前的AFM系统拥有几种先进的技术,用于在广泛的机械模块中以高速和高横向分辨率对材料进行机械表征,例如,从硬质样品(例如,涂层,晶体…)到软质材料(例如,聚合物,生物样品…),在不同的环境(例如,空气,真空,液体)和条件(控制湿度,控制温度)。在这里,简要回顾了基于AFM的材料纳米力学表征方法,特别是力谱分析,重点介绍了可以分析的材料。
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引用次数: 0
Influence investigation of the melt track geometry during selective laser melting of CuSn10 CuSn10选择性激光熔化过程中熔化轨迹几何形状的影响研究
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1680/jnaen.23.00008
F. Foadian, A. T. Tabrizi, R. Kremer, H. Aghajani
CuSn10 alloy, has remarkable mechanical properties, including good elongation and medium hardness. Additive manufacturing of this powder compound is developing on a fast slope. In this paper, the optimization of the process parameters of the Selective Laser Melting (SLM) method was carried out to manufacture CuSn10 compounds. In addition, a numerical model for the simulation of the melt pool behaviour was created by utilizing Ansys 2021 R1 software, and a comparison was carried out between predicted numerical data with achieved experimental results. The formation conditions of various melt traces were modelled, measured, and validated for this aim. In the experimental stage, a constant laser power of 95 W was used, and the effect of variation of the scanning speed was studied between 10 to 1500 mm.s−1. Results showed that the variation of the scanning speed is not enough, and optimisation must be applied by participating in other process parameters. It indicates that by adjusting the process parameters to have a 365 W power, the liquid phase can be achieved in the production process.
CuSn10合金具有优异的力学性能,伸长率好,硬度中等。粉末复合材料的增材制造正快速发展。本文对选择性激光熔化(SLM)法制备CuSn10化合物的工艺参数进行了优化。利用Ansys 2021 R1软件建立了熔池行为模拟的数值模型,并将预测的数值数据与实验结果进行了比较。为此,对各种熔体痕迹的形成条件进行了建模、测量和验证。实验阶段采用恒定功率为95 W的激光,研究了扫描速度在10 ~ 1500 mm.s−1范围内变化的影响。结果表明,扫描速度的变化是不够的,必须通过参与其他工艺参数来进行优化。结果表明,在生产过程中,通过调整工艺参数使其功率达到365 W,可以实现液相化。
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引用次数: 0
Design technique co-optimization approach to GAA FETs for inverter design at advanced technology node 用于先进技术节点逆变器设计的GAA-FET设计技术协同优化方法
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1680/jnaen.23.00029
E. Mohapatra, J. Jena, Devika Jena, Sanghamitra Das, Tara Prasanna Dash
Gate-all-around Nanosheet field-effect transistor (GAA-NSFET) is a potential replacement for the state-of-art FinFET devices at advanced technology nodes. In this article, the impact of process-induced variability such as gate work function variation (WFV) on NSFETs using 3D TCAD numerical device simulation is studied. The WFV of NSFETs and NWFETs using multiple stack channels are also analyzed. The fluctuation in the threshold voltage (σVTH) and on-current (σION) of NSFETs is mainly affected by the WFV of the metal gate. It is investigated that single and 3-stacked NSFET shows superior immunity to WFV compared to NWFET. Furthermore, a layout-based NSFET inverter design using the DTCO technique is followed and the advantages of the stacked NSFET in terms of delay, power dissipation and switching energy are also reported.
栅极环绕纳米片场效应晶体管(GAA-NSFET)是先进技术节点上最先进的FinFET器件的潜在替代品。在本文中,使用3D TCAD数值器件模拟研究了工艺诱导的可变性(如栅极功函数变化(WFV))对NSFET的影响。还分析了使用多堆叠通道的NSFET和NWFET的WFV。NSFET的阈值电压(σVTH)和导通电流(σION)的波动主要受金属栅极的WFV的影响。研究表明,与NWFET相比,单位和三位NSFET对WFV具有更好的抗扰性。此外,采用DTCO技术进行了基于布局的NSFET逆变器设计,并报道了堆叠式NSFET在延迟、功耗和开关能量方面的优势。
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引用次数: 0
Mechanical properties of aluminum through electronic- and atomic-scale simulations 通过电子和原子尺度模拟铝的机械性能
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1680/jnaen.23.00017
S. Khani, H. Palkowski
Implementing the integrated computational materials engineering methodology in modeling plastic deformation processes and associated phenomena can provide a unique opportunity for a deeper study of material behavior at smaller scales and result in more precise and accurate predictions. This study presents a multiscale modeling framework linking two different length scales – namely, the electronic and the atomic scale – to investigate the mechanical properties of pure aluminum (Al) and to achieve the required parameters and information for higher scales. At the electronic scale, the elastic properties and interfacial energies for aluminum were garnered from density functional theory simulations to calibrate the modified embedded atom method (MEAM) potentials required for atomic simulations. The calculation for the generalized stacking fault energy resulted in an intrinsic stacking fault energy of 185.5 mJ/m2. Using the parameter calculated at the electronic scale as well as the MEAM potential parameters, the edge dislocation mobility of aluminum from molecular dynamics simulations was calculated at the atomic scale (nano). A drag coefficient of 7.3 × 10−5 Pa s was computed at 300 K. The dependency of the drag coefficient on the temperature was also studied, and the results showed that the velocity linearly depended on τ/T up to 0.4 MPa/K.
在塑性变形过程和相关现象建模中实施综合计算材料工程方法,可以为在更小尺度上对材料行为进行更深入的研究提供独特的机会,并导致更精确和准确的预测。本研究提出了一个连接两个不同长度尺度(即电子和原子尺度)的多尺度建模框架,以研究纯铝(Al)的机械性能,并获得更高尺度所需的参数和信息。在电子尺度上,通过密度泛函理论模拟获得了铝的弹性性能和界面能,以校准原子模拟所需的修饰嵌入原子法(MEAM)电位。通过广义层错能的计算,得到层错能的本征值为185.5 mJ/m2。利用电子尺度上的参数和MEAM电位参数,在原子尺度(纳米)上计算了分子动力学模拟中铝的边缘位错迁移率。300 K时的阻力系数为7.3 × 10−5 Pa s。研究了阻力系数与温度的关系,结果表明,在0.4 MPa/K以内,速度与τ/T呈线性关系。
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引用次数: 0
Thermal fatigue testing with repeatable temperature cycles on thermomechanical simulator Gleeble 1500D 在热机械模拟器Gleeble 1500D上进行可重复温度循环的热疲劳试验
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1680/jnaen.23.00012
P. Fajfar, D. Bombač, G. Kugler, M. Tercelj
This paper presents two thermal fatigue tests developed to simulate the typical thermal fatigue behavior of hot work tools and rolls. The tests were carried out on the Gleeble 1500D thermomechanical simulator with computer-controlled heating and cooling of the test specimens. In the first test, internal cooling of the specimens is performed, and in the second test, an external one. This allows constant test conditions and the collection of reliable experimental data on the thermal fatigue behaviour. The internally cooled test rig is used for testing the thermal fatigue properties of bulk materials. ICDP cast iron was used to present the basic capabilities of the test. At the material, the cracks take flattened graphite – cementite pathways. The external cooling test rig, on the other hand was designed for comparative testing of four surface simultaneously. Thus, the capabilities of the second test were presented in the comparative testing of three different laser-welded functionally graded material surface layers and the basic H13 tool steel, simultaneously. The highest thermal fatigue resistance exhibited the weld with the lowest Si content. A quantitative evaluation of thermal fatigue resistance as well as following of degradation processes at both tests is enabled.
本文介绍了两种模拟热加工工具和轧辊典型热疲劳行为的热疲劳试验。试验在Gleeble 1500D热机械模拟器上进行,计算机控制试样的加热和冷却。在第一次试验中,对试样进行内部冷却,在第二次试验中进行外部冷却。这允许恒定的测试条件和收集关于热疲劳行为的可靠实验数据。内冷试验台用于测试散装材料的热疲劳性能。ICDP铸铁用于展示测试的基本能力。在材料上,裂纹采用扁平的石墨-渗碳体路径。另一方面,外冷试验台是为同时对四个表面进行对比试验而设计的。因此,在同时对三种不同的激光焊接功能梯度材料表面层和基本H13工具钢进行比较测试时,展示了第二次测试的能力。Si含量最低的焊缝具有最高的热疲劳抗力。能够对热疲劳抗力进行定量评估,并在两次测试中跟踪退化过程。
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引用次数: 0
Green emission and photoelectrical properties of low concentration Mn doped CsPbBr3 nanocrystals 低浓度Mn掺杂CsPbBr3纳米晶体的绿色发射和光电性能
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-01 DOI: 10.1680/jnaen.22.00062
A. Bhardwaj, A. Kushwaha
Doping of Cesium Lead Bromide (CsPbBr3) perovskite nanocrystals offers the effective control on the optical and optoelectrical properties leading to possibilities for several new applications. Herein, CsPbBr3 perovskite nanocrystals are synthesised with low concentration of Manganese (Mn) doping into perovskite lattice using Manganese chloride (MnCl2) precursor. A shift in x-ray diffraction peaks towards higher angles indicates that Mn as a dopant is present inside CsPbBr3 lattice. The change in the MnCl2 precursor concentration from 5 to 10 mmol, results an increment in the atomic percentage (At.%) of Mn from 0.3 to 0.5% into the CsPbBr3 crystal. Low concentration of Mn doping (0.3 At.%) in CsPbBr3 results in enhancement of green emission, while higher Mn doping (0.5 At.%) results in blue emission. The band gap of CsPbBr3 nanocrystals increases from 2.31 eV to 2.53 eV with increase in the concentration of manganese. The dark and photoelectrical conductivity of CsPbBr3 nanocrystals is improved in case of low concentration (0.3 At.%) of Mn doping. The ratio of photocurrent vs. dark current is found to be ∼182 in Mn doped CsPbBr3 crystals film as compared to ∼101 for undoped CsPbBr3 crystals film. The low concentration of Mn doping improves the overall electrical and photoelectrical conductivity of CsPbBr3 perovskite nanocrystals.
铯溴化铅(CsPbBr3)钙钛矿纳米晶体的掺杂提供了对光学和光电学性质的有效控制,从而为几种新的应用提供了可能性。本文以氯化锰(MnCl2)为前驱体,在钙钛矿晶格中掺杂低浓度锰(Mn),合成了CsPbBr3钙钛矿纳米晶体。x射线衍射峰向更高角度移动表明Mn作为掺杂剂存在于CsPbBr3晶格内。当MnCl2前驱体浓度从5 mmol增加到10 mmol时,CsPbBr3晶体中Mn的原子百分率(At.%)从0.3增加到0.5%。在CsPbBr3中,低浓度Mn掺杂(0.3 At.%)可增强绿色发射,高浓度Mn掺杂(0.5 At.%)可增强蓝色发射。随着锰浓度的增加,CsPbBr3纳米晶的带隙从2.31 eV增加到2.53 eV。在低浓度(0.3 At.%) Mn掺杂的情况下,CsPbBr3纳米晶体的暗电导率和光电导率得到了改善。发现Mn掺杂CsPbBr3晶体薄膜的光电流与暗电流之比为~ 182,而未掺杂CsPbBr3晶体薄膜的光电流与暗电流之比为~ 101。低浓度的Mn掺杂提高了CsPbBr3钙钛矿纳米晶体的整体电导率和光电导率。
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引用次数: 0
Anion/cation substitution in lead-free double-perovskite films: for band-gap optimization 无铅双钙钛矿薄膜中的阴离子/阳离子取代:用于带隙优化
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-01 DOI: 10.1680/jnaen.23.00001
Bhawna, A. Alam, M. Aslam
During the past few years, halide double perovskites have been extensively explored for designing eco-friendly and stable perovskite-family absorber materials. In this work, thin films of Cs2AgBiBr6 double perovskites were successfully fabricated with the aim of obtaining a lead-free system. Optical studies confirmed the large band gap of 2.33 eV of Cs2AgBiBr6 films. Post-synthetic vapor treatment of Cs2AgBiBr6 thin films, with tin (IV) iodide (SnI4; SI), was performed to engineer their optical response. Structural and optical studies confirmed the phase purity of the various SI-treated films. X-ray diffraction studies further showed a systematic shift toward lower 2θ values, which signified the expansion of lattice parameters on SI substitution in the Cs2AgBiBr6 structure. The as-prepared pristine and SI-treated films showed good coverage with a reasonably large grain size. Furthermore, the optical studies revealed a 0.47 eV reduction in the band gap of SI-treated films, as opposed to a small band-gap change of approximately 0.22 eV when the pristine Cs2AgBiBr6 film was treated with cesium iodide (CsI). This showed the role of the combined effects of charge-balancing defects and compositional substitution in band-gap lowering in Cs2AgBiBr6. The controlled doping in lead-free double perovskites for improved optical properties might help in strengthening their use for future optoelectronic applications.
近年来,人们对卤化物双钙钛矿进行了广泛的探索,以设计出环保、稳定的钙钛矿系吸收材料。在这项工作中,成功地制备了Cs2AgBiBr6双钙钛矿薄膜,目的是获得无铅体系。光学研究证实了Cs2AgBiBr6薄膜具有2.33 eV的大带隙。用碘化锡(sn4)对Cs2AgBiBr6薄膜进行合成后气相处理SI),以设计其光学响应。结构和光学研究证实了各种硅处理薄膜的相纯度。x射线衍射研究进一步表明,在Cs2AgBiBr6结构中,晶格参数向较低的2θ值有系统的转移,这表明SI取代的扩展。制备的原始和si处理的薄膜具有良好的覆盖度和相当大的晶粒尺寸。此外,光学研究表明,si处理后的薄膜带隙减少了0.47 eV,而原始的Cs2AgBiBr6薄膜用碘化铯(CsI)处理后的带隙变化很小,约为0.22 eV。这表明了电荷平衡缺陷和成分取代在降低Cs2AgBiBr6带隙中的共同作用。在无铅双钙钛矿中控制掺杂以改善光学性能可能有助于加强其在未来光电应用中的应用。
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引用次数: 0
Band-gap-engineered mixed-halide perovskite films through vacuum-based deposition approach 带隙工程混合卤化物钙钛矿薄膜的真空沉积方法
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-01 DOI: 10.1680/jnaen.23.00003
Rekha Yadav, Gangadhar Banappanavar, M. Aslam
Mixed-halide perovskites offer the important characteristic of band-gap tunability, which is essential for tandem solar cells. Herein, the single-source vapor deposition method is reported for MAPbBr2Cl1 (MA (methyl ammonium) = CH3NH3), MAPbBr1.5Cl1.5 and MAPbBr1Cl2 perovskite films utilizing the corresponding mixed-halide perovskite nanoparticles as a source for thermal evaporation. Further, band-gap tuning in vacuum-deposited MAPbBr3 thin films is performed through MACl treatment with successful band-gap tuning from 2.37 to 2.48 eV. The limitation of chlorine (Cl) incorporation into the perovskite structure at room temperature is tackled by MACl treatment of vapor-deposited MAPbBr2Cl1, MAPbBr1.5Cl1.5 and MAPbBr1Cl2 films. The structural properties of MAPbBr3−x Cl x films show a continuous shift in the X-ray diffraction peak toward a higher 2θ value, confirming chlorine incorporation into the perovskite structure. Band-gap tuning in MAPbBr3−x Cl x films, from 2.37 to 2.86 eV, is confirmed by absorption spectroscopy. The mixed-halide perovskite films show an improved microstructure with MACl treatment, as observed from the increased grain size of the films. Further, emission studies show good stability of MAPbBr3−x Cl x films against phase segregation under continuous exposure to 325 nm wavelength illumination of 100 mW/cm2 for more than 60 min. The diminished phase segregation might help in advancing the application of mixed-halide perovskites for reliable optoelectronic devices.
混合卤化物钙钛矿具有带隙可调谐性的重要特性,这对串联太阳能电池至关重要。本文报道了利用相应的混合卤化物钙钛矿纳米颗粒作为热蒸发源的MAPbBr2Cl1(MA(甲基铵)=CH3NH3)、MAPbBr1.5Cl1.5和MAPbBr1Cl2钙钛矿膜的单源气相沉积方法。此外,真空沉积的MAPbBr3薄膜中的带隙调谐是通过MACl处理进行的,带隙调谐成功地从2.37到2.48 室温下氯(Cl)掺入钙钛矿结构的限制通过气相沉积的MAPbBr2Cl1、MAPbBr1.5Cl1.5和MAPbBr1Cl2膜的MACl处理来解决。MAPbBr3−x Cl x薄膜的结构性质显示,x射线衍射峰向更高的2θ值连续移动,证实了氯掺入钙钛矿结构。MAPbBr3−x Cl x薄膜的带隙调谐,从2.37到2.86 通过吸收光谱法确认了电子伏特。从膜的晶粒尺寸增加可以观察到,混合卤化物钙钛矿膜在MACl处理后表现出改善的微观结构。此外,发射研究表明,MAPbBr3−x Cl x薄膜在连续暴露于325下时具有良好的抗相偏析稳定性 100的nm波长照明 mW/cm2,适用于60以上 min相偏析的减少可能有助于推进混合卤化物钙钛矿在可靠光电器件中的应用。
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引用次数: 0
Optical investigation of Sol-Gel synthesized and spin-coating SiO2/TiO2 multilayers 溶胶-凝胶合成和旋涂SiO2/TiO2多层膜的光学研究
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-01 DOI: 10.1680/jnaen.22.00039
S. Saravanan, R. S. Dubey, P. Subbarao
In this work, SiO2/TiO2 multilayer films were deposited on silicon substrates via sol-gel spin-coating techniques with the precursors of titanium butoxide and tetraethyl orthosilicate. After the preparation studied the various optical and morphological properties by using X-ray diffractometer (XRD), Fourier transform infrared (FTIR) spectroscopy, and UV-Visible spectrometer. XRD patterns revealed the intense diffraction peaks which were found that the anatase-TiO2 and well-matched with the standard JCPDS file. With the intense peaks, calculated the crystallite size of the prepared samples are 24 nm for three stacks (3S)-SiO2/TiO2 and 30 nm for five stacks (5S)-SiO2/TiO2 thin films using Debye Scherrer’s formula.FTIR transmittance spectra were confirmed the Si-O-Ti vibrational modes at 800 and 960 cm−1 with related functional groups. The reflectance of 86% was noticed by UV-Visible spectrophotometer. These dielectric multipliers will be useful in solar cells as the backside reflectors for improved light-harvesting mechanism.
在这项工作中,采用溶胶-凝胶自旋涂覆技术,以丁氧化钛和正硅酸四乙酯为前驱体,在硅衬底上沉积了SiO2/TiO2多层膜。制备完成后,利用x射线衍射仪(XRD)、傅里叶变换红外光谱(FTIR)和紫外可见光谱仪研究了材料的各种光学和形态性质。XRD谱图显示了强烈的衍射峰,发现锐钛矿- tio2与标准JCPDS文件匹配良好。利用这些强峰,利用Debye Scherrer公式计算出制备样品的晶粒尺寸为3层(3S)-SiO2/TiO2为24 nm, 5层(5S)-SiO2/TiO2为30 nm。FTIR透射光谱证实了Si-O-Ti在800和960 cm−1处具有相关官能团的振动模式。紫外可见分光光度计测得其反射率为86%。这些介电倍增器将在太阳能电池中用作背面反射器,以改善光收集机制。
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引用次数: 0
Graphene oxide doped poly (styrene-co-maleic anhydride) for high energy supercapacitors 高能超级电容器用氧化石墨烯掺杂聚苯乙烯-共马来酸酐
IF 1.1 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-01 DOI: 10.1680/jnaen.22.00026
Remya Simon, S. Chakraborty, A. V., Elias Jesu Packiam D., M. N. L.
Reliable energy storage materials which can provide enhanced capacitance with good cycling stability along with improved energy and power densities are exceedingly relevant in the commercial arena to attenuate the prevalent energy shortage. Polymers with structural flexibility and good mechanical and thermal stability can be coupled with carbon-based additives to obtain an electrochemical platform for energy storage without compromising on the required thermal and mechanical attributes. Here, styrene maleic-anhydride copolymer has been modified with a diamine to form a polyimide. These samples have been characterized using UV- Visible, 13C NMR, FTIR, FT Raman spectroscopy, TGA, DSC, BET, SEM, TEM and XRD techniques to understand and substantiate the spectral, morphological and electrochemical characteristics of the polymer nanocomposites. Efficacious intercalation of Graphene oxide has resulted in the formation of polymer nanocomposites which can act as excellent supercapacitor electrodes with a high specific capacitance of 700 F/g at 0.5 A/g and an energy and power density of 129.23 Wh kg−1 and 5572 Wkg−1 respectively.
可靠的储能材料可以提供具有良好循环稳定性的增强电容以及改进的能量和功率密度,这在商业领域对于缓解普遍的能源短缺是非常重要的。具有结构柔性和良好机械和热稳定性的聚合物可以与碳基添加剂偶联,以获得用于能量存储的电化学平台,而不会损害所需的热和机械特性。这里,苯乙烯-马来酸酐共聚物已经用二胺改性以形成聚酰亚胺。使用紫外-可见光谱、13C NMR、FTIR、FT-Raman光谱、TGA、DSC、BET、SEM、TEM和XRD技术对这些样品进行了表征,以了解和证实聚合物纳米复合材料的光谱、形态和电化学特性。氧化石墨烯的有效嵌入导致了聚合物纳米复合材料的形成,该纳米复合材料可以作为优异的超级电容器电极,具有700的高比电容 F/g,0.5 A/g,能量和功率密度为129.23 Wh kg−1和5572 Wkg−1。
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引用次数: 0
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Nanomaterials and Energy
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