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Biomass nanostructure: Cattail leaves derived-porous carbon with high electrochemical performance for Zn-ion hybrid supercapacitors 生物质纳米结构:用于 Zn 离子混合超级电容器的具有高电化学性能的香蒲叶衍生多孔碳
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-13 DOI: 10.1016/j.diamond.2024.111489

Biomass-derived porous carbon possesses several advantageous characteristics, such as low cost, inherent properties, and a controllable structure, making it an ideal electrode material for Zn-ion hybrid supercapacitors (ZIHSs). In this investigation, we used cattail leaves (CLs) as the carbon source and employed carbonization and activation techniques to fabricate porous carbon. We aimed to explore the correlation between the morphology, oxygen content, and defects in porous carbon derived from CLs under varying K2CO3 ratios. Remarkably, when the K2CO3/carbon ratio was adjusted to 2:1, the resulting porous carbon from CLs exhibited outstanding electrochemical performance in ZIHSs. These ZIHSs, functioning in an aqueous electrolyte, displayed impressive rate capability, achieving 158.3 mAh g−1 at 0.1 A g−1 and 60.2 mAh g−1 at 20 A g−1, along with a high energy density of 119.5 Wh kg−1. Furthermore, they exhibited exceptional long-term durability with nearly 100 % coulombic efficiency over 10,000 cycles. Additionally, a quasi-solid-state ZIHSs device demonstrated satisfactory specific capacity (148.54 mAh g−1 at 0.1 A g−1) and maintained stability under various orientations. The abundant, renewable, and cost-efficient biomass-derived carbon obtained in this study serves as a valuable guide for the development of portable energy storage devices that are both low in cost and high in performance, thereby contributing to sustainable energy solutions.

从生物质中提取的多孔碳具有成本低、固有特性和结构可控等优势,是锰离子混合超级电容器(ZIHS)的理想电极材料。在这项研究中,我们以香蒲叶(CLs)为碳源,采用碳化和活化技术制备了多孔碳。我们的目的是探索在不同的 K2CO3 比值下,由 CLs 制备的多孔碳的形态、氧含量和缺陷之间的相关性。值得注意的是,当 K2CO3 与碳的比例调整到 2:1 时,由 CL 制成的多孔碳在 ZIHS 中表现出了出色的电化学性能。这些在水性电解质中工作的 ZIHS 显示出惊人的速率能力,在 0.1 A g-1 时达到 158.3 mAh g-1,在 20 A g-1 时达到 60.2 mAh g-1,能量密度高达 119.5 Wh kg-1。此外,它们还表现出卓越的长期耐用性,在 10,000 次循环中库仑效率接近 100%。此外,一种准固态 ZIHSs 器件显示出令人满意的比容量(0.1 A g-1 时为 148.54 mAh g-1),并在各种方向上保持稳定。本研究中获得的丰富、可再生且具有成本效益的生物质衍生碳为开发低成本、高性能的便携式储能装置提供了宝贵的指导,从而为可持续能源解决方案做出了贡献。
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引用次数: 0
Water assisted atmospheric CVD super growth of vertically aligned CNT forest for supercapacitor application 应用于超级电容器的水辅助常压 CVD 超级生长垂直排列的 CNT 林
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-13 DOI: 10.1016/j.diamond.2024.111481

We report a high growth rate (37 μm/min) synthesis of vertically aligned carbon nanotube (VACNT) forest, achieving remarkable height exceeding a millimetre with good crystallinity. VACNTs with few numbers of walls have been grown over Fe–Co/Al2O3/SiO2 coated Si wafer using the water assisted atmospheric pressure chemical vapour deposition (WACVD) method. The key to this success lies in the synergistic combination of a bimetallic catalyst (Fe-Co) with buffer Al2O3 layer and the WACVD method. Notably, the VACNT forest, synthesised at optimized conditions can be directly used without the need for additional post-growth purification processes, eliminating the risk of potential damage to the CNTs. Finally, the VACNT forest exhibits excellent areal capacitance of 133.33 mF/cm2 at a current density of 1 mA/cm2 with outstanding cyclic stability of 130 % @ 3000 cycles.

我们报告了垂直排列碳纳米管(VACNT)林的高生长率(37 μm/min)合成方法,其高度超过了一毫米,并具有良好的结晶性。采用水辅助常压化学气相沉积(WACVD)方法,在Fe-Co/Al2O3/SiO2涂层硅晶片上生长出了具有少量管壁的VACNT。成功的关键在于双金属催化剂(Fe-Co)与缓冲 Al2O3 层和 WACVD 方法的协同组合。值得注意的是,在优化条件下合成的 VACNT 林可以直接使用,无需额外的生长后纯化过程,从而消除了对 CNT 造成潜在损害的风险。最后,在电流密度为 1 mA/cm2 时,VACNT 林显示出 133.33 mF/cm2 的出色等面积电容,3000 次循环后的循环稳定性高达 130%。
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引用次数: 0
Comprehensive study on dielectric properties and proton conductivity of graphene oxide (GO) embedded PVdF/PVP membrane electrolytes 嵌入氧化石墨烯 (GO) 的 PVdF/PVP 膜电解质的介电性能和质子传导性综合研究
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-13 DOI: 10.1016/j.diamond.2024.111486

This article investigates how the presence of polyvinylpyrrolidone (PVP) affects the dielectric properties and proton conductivity of phosphoric acid (PA) doped PVdF/PVP-based composite polymer electrolytes supported by graphene oxide (GO). In the study, insights into the structural, morphological, and thermal characteristics of the proposed composite electrolytes are obtained using characterization techniques such as Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). Proton conductivity and dielectric measurements are carried out across a frequency and temperature range (20 Hz-1 MHz, 300–420 K). We conduct in-depth discussions on the dielectric properties, including AC conductivity (σac), dielectric permittivity (ε′), imaginary permittivity (ε″), and loss tangent (tanδ) of the polymer electrolytes. While GO enhances the thermomechanical properties, the highest proton conductivity values are observed for (PVdF70/PVP30)-GO and (PVdF50/PVP50)-GO electrolytes, reaching 4.4 × 10−5 and 6.1 × 10−4 S/cm respectively. The dielectric measurements revealed a significant increase in the dielectric constant (ε′) and dielectric loss (ε″) values for the composite membranes, especially at lower frequencies and higher temperatures. For instance, the (PVdF50/PVP50)-GO composite exhibited ε′ values of 8.8 × 106, 1.99 × 105, and 77.38 at frequencies of 20 Hz, 1 kHz, and 1 MHz, respectively, at 300 K, and 7.38 × 106, 2.76 × 104, and 430.5 at 420 K. The ε″ values at 300 K for the same composite were 16.18 × 106, 7.25 × 105, and 1.09 × 103, respectively, at the same frequencies. (PVdF50-PVP50)-GO exhibits the lowest relaxation time (τ) and the highest proton conductivity at ambient temperature. These findings underscore the intricate interplay between PVP content, dielectric properties, and proton conductivity, providing valuable insights for the advancement of polymer electrolyte materials. This study contributes to our understanding of PA-doped (PVdFx/PVPy)-GO electrolytes, with implications for electronic and energy storage devices.

本文研究了聚乙烯吡咯烷酮(PVP)的存在如何影响氧化石墨烯(GO)支撑的掺杂磷酸(PA)的 PVdF/PVP 基复合聚合物电解质的介电性能和质子电导率。在这项研究中,利用傅立叶变换红外光谱(FTIR)、X 射线衍射(XRD)、扫描电子显微镜(SEM)和热重分析(TGA)等表征技术,深入了解了所提出的复合电解质的结构、形态和热特性。质子电导率和介电测量在一定的频率和温度范围(20 Hz-1 MHz,300-420 K)内进行。我们深入探讨了聚合物电解质的介电性能,包括交流电导率(σac)、介电常数(ε′)、虚介电常数(ε″)和损耗正切(tanδ)。虽然 GO 增强了热机械性能,但 (PVdF70/PVP30)-GO 和 (PVdF50/PVP50)-GO 电解质的质子电导率值最高,分别达到 4.4 × 10-5 和 6.1 × 10-4 S/cm。介电测量显示,复合膜的介电常数(ε′)和介电损耗(ε″)值显著增加,尤其是在较低频率和较高温度下。例如,(PVdF50/PVP50)-GO 复合材料在 300 K 时,频率分别为 20 Hz、1 kHz 和 1 MHz 时,ε′值分别为 8.8 × 106、1.99 × 105 和 77.38;在 420 K 时,ε″值分别为 7.38 × 106、2.76 × 104 和 430.5。(PVdF50-PVP50)-GO 在环境温度下表现出最低的弛豫时间(τ)和最高的质子传导性。这些发现强调了 PVP 含量、介电性质和质子电导率之间错综复杂的相互作用,为聚合物电解质材料的发展提供了宝贵的见解。这项研究有助于我们了解 PA 掺杂(PVdFx/PVPy)-GO 电解质,对电子和储能设备具有重要意义。
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引用次数: 0
Hydrothermal assisting biomass into a porous active carbon for high-performance supercapacitors 水热法将生物质转化为用于高性能超级电容器的多孔活性炭
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-13 DOI: 10.1016/j.diamond.2024.111487

Biomass contained significant amounts of lignin, cellulose and hemicellulose and these high crystallinity results in sub-optimal electrochemical properties. Herein, a hydrothermal method was employed to intentionally weaken the structural integrity of hemp fibers and eliminate cellulose impurities. After undergoing KOH activation, the resulting product achieved a maximum specific surface area of 1644.3 m2 g−1. In a three-electrode test, the specific capacitance of this electrode material was 255.6 F g−1 at a current density of 1 A g−1, representing a nearly double enhancement over the non-hydrothermally treated sample. Furthermore, the assembled symmetric supercapacitor has a specific capacitance of 56.9 F g−1 at 1 A g−1 and a capacitance retention of 102 % after 10,000 charge/discharge cycles (10 A g−1). Its maximum power density was 725 W kg−1 at an energy density of 16.6 Wh kg−1. The desirable capacitive properties indicated that the hydrothermal pretreatment method was expected to have wider applications in the preparation of other biomass-based electrode materials.

生物质中含有大量木质素、纤维素和半纤维素,这些高结晶度会导致电化学性能不理想。在此,我们采用了一种水热法,有意削弱麻纤维的结构完整性并消除纤维素杂质。经过 KOH 活化后,所得产品的最大比表面积达到 1644.3 m2 g-1。在三电极测试中,电流密度为 1 A g-1 时,这种电极材料的比电容为 255.6 F g-1,比未经热处理的样品提高了近一倍。此外,组装好的对称超级电容器在 1 A g-1 电流密度下的比电容为 56.9 F g-1,在 10,000 次充放电循环(10 A g-1)后的电容保持率为 102%。其最大功率密度为 725 W kg-1,能量密度为 16.6 Wh kg-1。理想的电容特性表明,水热预处理方法有望在制备其他生物质电极材料方面得到更广泛的应用。
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引用次数: 0
Long-lasting copper carbon nanotubes for non-enzymatic electrochemical sensing of glyphosate 用于草甘膦非酶电化学传感的长效铜碳纳米管
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-12 DOI: 10.1016/j.diamond.2024.111483

Accurate electrochemical detection of glyphosate (GLY) presents significant challenges due to its non-electroactive nature on conventional electrode materials. To address this challenge, copper-modified electrodes have been developed to form a complex with GLY, enhancing detection capabilities. In this study, we propose an innovative material: copper-modified carbon nanotubes on a glassy carbon electrode (Cu/CNT/GCE). The detection mechanism of GLY using Cu/CNT/GCE involves the formation of a copper-GLY complex, which inhibits the electrochemical response of copper, proportionally to the GLY concentration. This effect is enhanced by the synergistic interaction between copper and carbon nanotubes, increasing the electrochemical stability and detection capacity of the system. To evaluate the electrochemical performance of Cu/CNT/GCE, cyclic voltammetry was performed at different electrolyte concentrations and pH levels. Square wave voltammetry was employed for the electrochemical quantification of GLY, showing a linear correlation between GLY concentration and the inhibition of the copper response. The proposed sensor exhibited a low limit of detection (0.098 ppm) and a limit of quantification (0.326 ppm). Furthermore, the electrode demonstrated long-term stability, retaining 95 % of its signal after one year of storage. This stability is attributed to the carbon nanotube support, which prevents corrosion of copper particles. Recovery values ranged from 94 to 106 % for Citromax™ and Orium™ glyphosate with precision. The method showed excellent selectivity for GLY detection, even in the presence of other herbicides such as diuron and oryzalin. These properties suggest that Cu/CNT/GCE presents promising features for the electrochemical monitoring of GLY in diverse environmental samples.

由于草甘膦(GLY)在传统电极材料上不具有电活性,因此对其进行准确的电化学检测是一项重大挑战。为了应对这一挑战,人们开发了铜改性电极,使其与草甘膦形成复合物,从而提高检测能力。在本研究中,我们提出了一种创新材料:玻璃碳电极上的铜改性碳纳米管(Cu/CNT/GCE)。使用 Cu/CNT/GCE 检测 GLY 的机制涉及铜-GLY 复合物的形成,该复合物可抑制铜的电化学反应,其程度与 GLY 的浓度成正比。铜和碳纳米管之间的协同作用增强了这种效应,从而提高了系统的电化学稳定性和检测能力。为了评估 Cu/CNT/GCE 的电化学性能,我们在不同的电解质浓度和 pH 值水平下进行了循环伏安法测试。方波伏安法用于 GLY 的电化学定量,结果表明 GLY 浓度与铜响应抑制之间呈线性相关。所提出的传感器具有较低的检测限(0.098 ppm)和定量限(0.326 ppm)。此外,该电极还具有长期稳定性,在储存一年后仍能保持 95% 的信号。这种稳定性归功于碳纳米管支架,它可以防止铜颗粒的腐蚀。Citromax™ 和 Orium™ 草甘膦的精确回收率为 94% 至 106%。该方法对 GLY 的检测具有极佳的选择性,即使在存在其他除草剂(如双嘧磺隆和奥利唑啉)的情况下也是如此。这些特性表明,Cu/CNT/GCE 具有电化学监测各种环境样品中 GLY 的良好特性。
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引用次数: 0
Effects of Ni–Cr–Mo–Si–B prealloy additives on the properties of Fe-based diamond composites Ni-Cr-Mo-Si-B 预合金添加剂对铁基金刚石复合材料性能的影响
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-11 DOI: 10.1016/j.diamond.2024.111482

In this study, Fe-based diamond composites with various Ni–Cr–Mo–Si–B prealloy additives were prepared using hot-press sintering, and the effects of the Ni–Cr–Mo–Si–B content on the relative density, bending strength, Rockwell hardness, and frictional wear properties of the Fe–Cu–Co–Sn matrix were investigated. Additionally, the effect of the composition of the Ni–Cr–Mo–Si–B additives on the interface between the matrix and diamond was studied. The Ni and Cr in the additives facilitated a tight bonding interface without notable gaps between the diamond and Fe–Cu–Co–Sn matrix. Considering the overall performance of the materials, the optimal addition of Ni–Cr–Mo–Si–B was determined to be 10 %, which resulted in notably improved comprehensive performance indicators of the Fe-based diamond composite materials. For example, diamond drill bits made with this formulation exhibited a wear ratio of 1600 mm/g and a penetration rate of 29.21 mm/min, representing increases of 29 % and 44.96 %, respectively, compared to those of drill bits without Ni–Cr–Mo–Si–B additives. Developing high-performance diamond drill bits with increased ROP and extended service lives to enhanced performance, efficiency, and cost-effectiveness in drilling operations across different industries, ranging from mining and construction to oil and gas exploration.

本研究采用热压烧结法制备了含有各种 Ni-Cr-Mo-Si-B 预合金添加剂的铁基金刚石复合材料,并研究了 Ni-Cr-Mo-Si-B 含量对铁-铜-钴-锰基体的相对密度、抗弯强度、洛氏硬度和摩擦磨损性能的影响。此外,还研究了 Ni-Cr-Mo-Si-B 添加剂的成分对基体和金刚石界面的影响。添加剂中的镍和铬使金刚石和铁铜钴锰基体之间的界面紧密结合,没有明显的间隙。考虑到材料的整体性能,Ni-Cr-Mo-Si-B 的最佳添加量被确定为 10%,从而显著改善了铁基金刚石复合材料的综合性能指标。例如,与未添加 Ni-Cr-Mo-Si-B 添加剂的金刚石钻头相比,使用这种配方制成的金刚石钻头的磨损率为 1600 mm/g,穿透率为 29.21 mm/min,分别提高了 29% 和 44.96%。开发可提高 ROP 和延长使用寿命的高性能金刚石钻头,可提高从采矿、建筑到石油和天然气勘探等不同行业钻探作业的性能、效率和成本效益。
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引用次数: 0
Deactivation of complex formation by anodic oxidation on boron-doped diamond electrodes 掺硼金刚石电极阳极氧化作用下复合物形成的失活现象
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-10 DOI: 10.1016/j.diamond.2024.111472

The wastewater discharged from the plating process contains highly toxic transition metals. To decontaminate plating wastewater, we investigated the deactivation of complex formation via the anodic oxidation of three complexing agents — (ethylenediaminetetraacetic acid (EDTA), gluconic acid (GA), and triethanolamine (TEA)) — on a boron-doped diamond (BDD) electrode. The performance of the BDD electrode was compared with those of existing electrodes: a Pt electrode, an IrO2 electrode, and a PbO2 electrode. Compared with the Pt and IrO2 electrodes, the BDD electrode achieved higher deactivation rates of GA and TEA. Moreover, we investigated the decomposition products of the complexing agents and the variation in the total organic carbon content during the electrooxidation. The BDD electrode rapidly oxidized the formic acid generated as the decomposition product and achieved the complete mineralization of EDTA after 8 h of anodic oxidation and GA and TEA after 12 h. These results indicate that anodic oxidation on a BDD electrode is a suitable method for treating plating wastewater containing complexing agents.

电镀过程中排放的废水含有剧毒过渡金属。为了消除电镀废水的污染,我们研究了在掺硼金刚石(BDD)电极上通过阳极氧化三种络合剂(乙二胺四乙酸(EDTA)、葡萄糖酸(GA)和三乙醇胺(TEA))来失活络合物的形成。BDD 电极的性能与现有电极(铂电极、二氧化铱电极和二氧化铅电极)的性能进行了比较。与铂电极和二氧化铱电极相比,BDD 电极对 GA 和三乙醇胺的失活率更高。此外,我们还研究了络合剂的分解产物以及电氧化过程中总有机碳含量的变化。这些结果表明,在 BDD 电极上进行阳极氧化是一种处理含有络合剂的电镀废水的合适方法。
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引用次数: 0
An in-situ process for the growth of carbon nanotubes on the graphene flakes for enhancing the electron field emission properties 在石墨烯薄片上生长碳纳米管以增强电子场发射特性的原位工艺
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-09 DOI: 10.1016/j.diamond.2024.111478

Carbon nanostructures represent cutting-edge nanomaterials poised to replace thermionic emitters in electron emission devices, offering a pathway to miniaturization. Carbon nanotubes (CNTs) and graphene (Gr) stand out for their exceptional electronic and structural properties, making them superior candidates for such applications. This study introduces an in-situ synthesis method for synthesizing a nanostructured composite of Gr-CNT by precisely controlling ammonia (NH3) gas flow. The nanocomposite samples, prepared at varying NH3 gas flow rates, were characterized using FESEM and Raman spectroscopy, revealing the formation of flower-like Gr nanoflakes and spiral-threaded CNT profiles. The presence of D and G bands, along with the D′, 2D and D + G bands in the Raman spectra, confirms the successful growth of the Gr-CNT field emitters. The electron field emission properties were significantly improved, leading to reduced turn-on Eto2.481.95V/μm and threshold Eth2.92.32V/μm fields, respectively. Notably, increasing NH3 gas flow rates enhanced the macroscopic emission current density JM174797μA/cm2 become maximum at 40 sccm (standard cubic centimeters per minute) due to increased CNT protrusions. Repeatability tests and analyses of emission current stability demonstrated superior performance compared to pristine Gr field emitters. Increased protrusions density, reduced contact resistance, and a lesser screening effect are responsible for this enhanced stability. Additionally, the prepared field emitters were considered suitable for practical applications based on the scaled barrier field values extracted from the emission experiments, which satisfied the necessary criteria.

碳纳米结构是有望取代电子发射装置中热离子发射器的尖端纳米材料,为实现微型化提供了途径。碳纳米管(CNT)和石墨烯(Gr)因其优异的电子和结构特性而脱颖而出,成为此类应用的理想候选材料。本研究介绍了一种通过精确控制氨气(NH3)流量合成 Gr-CNT 纳米结构复合材料的原位合成方法。使用 FESEM 和拉曼光谱对不同 NH3 气体流速下制备的纳米复合材料样品进行了表征,结果显示形成了花状 Gr 纳米片和螺旋螺纹状 CNT 剖面。拉曼光谱中出现的 D 和 G 带以及 D′、2D 和 D + G 带证实了 Gr-CNT 场发射器的成功生长。电子场发射特性得到明显改善,分别降低了开启 Eto2.48→1.95V/μm 和阈值 Eth2.9→2.32V/μm 场。值得注意的是,由于 CNT 突起的增加,增加 NH3 气体流速会提高宏观发射电流密度 JM174→797μA/cm2,在 40 sccm(标准立方厘米/分钟)时达到最大值。发射电流稳定性的重复性测试和分析表明,与原始 Gr 场发射器相比,该发射器的性能更加优异。突起密度的增加、接触电阻的降低以及屏蔽效应的减弱是稳定性增强的原因。此外,根据从发射实验中提取的比例势垒场值,制备的场发射器被认为适合实际应用,满足了必要的标准。
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引用次数: 0
The functionalization of carbon nanofibers by using ionic liquids 利用离子液体实现碳纳米纤维的功能化
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-09 DOI: 10.1016/j.diamond.2024.111477

Centrifugal spinning is a promising technique to design nanostructured electrodes with tunable morphology and structure. Carbon nanofibers are commonly used as anodes for sodium ion batteries (SIBs) and supercapacitors owing to high electrical conductivity, high porosity and large interlayer spacing. Herein, a facile and low-cost strategy is presented to fabricate carbon nanofibers via a fast and safe centrifugal spinning and heat treatment. Moreover, triple doping was employed by using ionic liquids to further improve electrochemical properties of carbon nanofiber electrodes for SIBs and supercapacitors. The morphology of triple doped carbon nanofibers (TDCNFs) were studied by using scanning electron microscopy (SEM) and tunneling electron microscopy (TEM). Heteroatom doping was seen from SEM EDX images. Larger interlayer spacing was observed from XRD pattern of TDCNFs. Self-standing, binder free TDCNF electrodes delivered the high reversible capacity of over 350 mAh/g at 100 mA/g with excellent cycling stability in 200 cycles compared to that of CNF electrodes (150 mAh/g). TDCNFs were also used in two-electrode supercapacitors and high capacitance of around 225 F/g was observed with excellent capacitance retention in 10,000 cycles. This work reports a promising way to prepare carbon nanofibers with tunable morphology and various compositions which could be applicable for different energy storage applications.

离心纺丝是一种设计具有可调形态和结构的纳米结构电极的有前途的技术。由于具有高导电性、高孔隙率和大层间距,碳纳米纤维通常用作钠离子电池(SIB)和超级电容器的阳极。本文介绍了一种通过快速、安全的离心纺丝和热处理来制造碳纳米纤维的简便、低成本策略。此外,通过使用离子液体进行三重掺杂,进一步改善了用于 SIB 和超级电容器的碳纳米纤维电极的电化学性能。利用扫描电子显微镜(SEM)和隧道电子显微镜(TEM)研究了三重掺杂碳纳米纤维(TDCNF)的形态。从扫描电子显微镜 EDX 图像中可以看到异原子掺杂。从 TDCNFs 的 XRD 图谱中可以观察到较大的层间距。与 CNF 电极(150 mAh/g)相比,自立式无粘结剂 TDCNF 电极在 100 mA/g 时可提供 350 mAh/g 以上的高可逆容量,并且在 200 次循环中具有出色的循环稳定性。TDCNF 还被用于双电极超级电容器,观察到其电容高达约 225 F/g,且在 10,000 次循环中电容保持性极佳。这项工作报告了一种制备具有可调形态和各种成分的碳纳米纤维的可行方法,这种方法可用于不同的储能应用。
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引用次数: 0
Gas molecules adsorption on the α-Graphyne nanosheet for the sensor applications α-石墨烯纳米片上的气体分子吸附在传感器上的应用
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2024-08-08 DOI: 10.1016/j.diamond.2024.111471

Recently, Graphyne-based gas sensors have drawn a lot of interest. One kind of Graphene with acetylene bonds connecting its hexagons is Graphyne. In this study, the density functional theory (DFT) method was used to investigate the physical parameters of the surface adsorption of CO2, NO, O2, F2, and Cl2 molecules on the α-Graphyne nanosheet, taking into account van der Waals (vdW) interactions through the use of the SIESTA computational code. Gas molecules have adsorbed and optimized in two vertical and horizontal states from the side of its different atoms, at different distances and sites relative to the α-Graphyne sheet. After optimization and finding the adsorption energy, the best adsorption sites, equilibrium distance of the molecule from the surface, electronic structure, charge transfer rate, and bandgap changes were calculated. It was observed that the changes in the electronic structure after the adsorption of CO2 and F2 gas molecules are negligible and the structure remained zero-gap semiconductors. The adsorption of CO2 and F2 molecules on the α-Graphyne nanosheet is physisorption while the adsorption of NO, O2, and Cl2 is chemisorptions type. Graphyne sheet acts as electron acceptors for all considered molecules except F2 molecule. The higher the charge transfer between the molecule and the sheet, the higher the reactivity and sensitivity of Graphyne sheets to Cl2, O2, and NO molecule detection. The electronic properties of α-Graphyne are more sensitive to adsorption of Cl2, O2, and NO molecules than that of F2 and CO2. Hence, α-Graphyne can be a desirable and promising material for sensing these gas molecules in practical applications.

最近,基于石墨烯的气体传感器引起了广泛关注。石墨烯是一种以乙炔键连接六边形的石墨烯。本研究采用密度泛函理论(DFT)方法研究了 CO2、NO、O2、F2 和 Cl2 分子在α-石墨烯纳米片表面吸附的物理参数,并通过使用 SIESTA 计算代码考虑了范德华(vdW)相互作用。气体分子从其不同原子的一侧,在相对于 α-Graphyne 薄片的不同距离和位置,以垂直和水平两种状态吸附并优化。经过优化并求得吸附能后,计算了最佳吸附位点、分子与表面的平衡距离、电子结构、电荷转移率和带隙变化。结果表明,吸附 CO2 和 F2 气体分子后,电子结构的变化可以忽略不计,其结构仍为零隙半导体。二氧化碳和 F2 分子在 α 石墨纳米片上的吸附属于物理吸附,而对 NO、O2 和 Cl2 的吸附属于化学吸附。除 F2 分子外,石墨烯纳米片是所有吸附分子的电子受体。分子与石墨烯薄片之间的电荷转移越大,石墨烯薄片对 Cl2、O2 和 NO 分子检测的反应活性和灵敏度就越高。与 F2 和 CO2 相比,α-石墨烯的电子特性对 Cl2、O2 和 NO 分子的吸附更为敏感。因此,在实际应用中,α-Graphyne 可以作为一种理想且有前景的材料来感测这些气体分子。
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Diamond and Related Materials
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