Diamond and Related Materials最新文献_第7页

Graphene quantum dots/persulfate boosted electro-oxidation for leachate degradation, carbon quantum dots extraction for anti-counterfeiting applications - a sustainable approach 石墨烯量子点/过硫酸盐促进电氧化法降解渗滤液，碳量子点萃取用于防伪应用--一种可持续的方法

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111693

R. Priyadarshini Rajesh, M.P. Saravanakumar

Leachate management in an efficient way is still a challenge as it contains many emerging pollutants. This work activates the persulfate by defatted Moringa oleifera seeds waste-derived graphene quantum dots (M-GQDs) catalyst to degrade the matured leachate pollutants by electro-oxidation with scrap stainless steel as electrodes. At the optimized conditions with pH of 3, 4.5 V, 1 g/L of persulfate, 0.07 g/L of M-GQDs, 3 h of reaction time, the removal of UV₂₅₄, chemical oxygen demand (COD), total organic carbon (TOC), and NH₃-N is found to be 99 %, 97 %, 84 %, and 90 % respectively with less energy consumption of 0.44 kWh/kg COD. The 3D fluorescence excitation-emission spectrophotometer (3D EEM) and the Gas chromatography-mass spectroscopy (GC–MS) analysis results attune the degradation of dissolved organic matter and micropollutants in the leachate. From the above-mentioned electro-oxidation treatment generated sludge, the quantum dots (S-CQDs), have been synthesized and characterized. Both the M-GQDs and S-CQDs are green emissive, spherical, and hydrophilic, with an average particle size of 2 to 4 nm, a band gap of 4 eV, and a quantum yield of 3.91 %, & 6.73 % respectively. Both have shown good suitability for information encryption and anti-counterfeiting fingerprint enhancement without changing the latent shape. The work is innovative because it broadens the application of quantum dots to the purification of highly contaminated wastewater and the development of materials for industry from generated waste for a closed-loop sustainability system.

由于渗滤液中含有许多新出现的污染物，因此如何有效地管理渗滤液仍是一项挑战。本研究以废旧不锈钢为电极，利用脱脂辣木籽废料衍生的石墨烯量子点（M-GQDs）催化剂激活过硫酸盐，通过电氧化降解成熟的渗滤液污染物。在 pH 值为 3、电压为 4.5 V、过硫酸盐浓度为 1 g/L、M-GQDs 浓度为 0.07 g/L、反应时间为 3 h 的优化条件下，UV254、化学需氧量（COD）、总有机碳（TOC）和 NH3-N 的去除率分别为 99%、97%、84% 和 90%，能耗为 0.44 kWh/kg COD。三维荧光激发-发射分光光度计（3D EEM）和气相色谱-质谱（GC-MS）分析结果表明了渗滤液中溶解有机物和微污染物的降解情况。根据上述电氧化处理产生的污泥，合成了量子点（S-CQDs）并对其进行了表征。M-GQDs 和 S-CQDs 都具有绿色发射性、球形和亲水性，平均粒径为 2 至 4 nm，带隙为 4 eV，量子产率分别为 3.91 %、& 6.73 %。两者都显示出良好的适用性，可在不改变潜伏形状的情况下用于信息加密和指纹防伪增强。这项工作具有创新性，因为它拓宽了量子点的应用范围，将其用于净化高度污染的废水，以及从产生的废物中开发工业材料，以实现闭环可持续发展系统。

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引用次数: 0

Influence mechanism of magnetron sputtering process parameters on diamond surface preprocessing interface for chip heat sink 磁控溅射工艺参数对芯片散热器金刚石表面预处理界面的影响机理

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111695

Yi Lu , Wei Chen , Changrui Wang , Wei Tian , Jiawen He , Wenhe Liao

The interface between diamond and aluminum is poor in wettability and solid solubility. The interface bonding can be improved effectively by plating metal elements on diamond surface combined with heat treatment. In this paper, the influence of adjustable process parameters on the quality of Mo layer modified by magnetron sputtering was studied based on orthogonal experiments, and Mo-coated diamond/aluminum composite materials were prepared by Spark Plasma Sintering (SPS). The results indicate that the deposition of Mo layer on the diamond surface proceeds through three stages: adsorption, surface diffusion, and stable nucleus growth, forming an initial thin film, followed by layer-by-layer stacking through repeated growth of these stages. Sputtering time and sputtering pressure are the main factors affecting the quality of the coating. Mo layers prepared under conditions of 30 min and 0.5 Pa exhibit uniform and dense surface and moderate thickness. After heat treatment, recrystallization forms equiaxed grains, and Mo₂C is formed in reaction with diamond, effectively enhancing the interface bonding strength between diamond and aluminum. The thermal conductivity of the diamond/aluminum composite material reached 342 W/(mK).

金刚石和铝之间的界面润湿性和固体溶解性较差。在金刚石表面电镀金属元素并结合热处理可以有效改善界面结合。本文基于正交实验研究了可调工艺参数对磁控溅射改性钼层质量的影响，并采用火花等离子烧结（SPS）技术制备了钼涂层金刚石/铝复合材料。结果表明，钼层在金刚石表面的沉积经历了三个阶段：吸附、表面扩散和稳定的晶核生长，形成初始薄膜，然后通过这些阶段的反复生长逐层堆积。溅射时间和溅射压力是影响涂层质量的主要因素。在 30 分钟和 0.5 Pa 的条件下制备的钼层表面均匀致密，厚度适中。热处理后，再结晶形成等轴晶粒，与金刚石反应形成 Mo2C，有效提高了金刚石和铝之间的界面结合强度。金刚石/铝复合材料的热导率达到 342 W/(mK)。

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引用次数: 0

Influence of defocusing of UV pulse laser radiation on LIG synthesis on Polyetheretherketone 紫外脉冲激光辐射散焦对聚醚醚酮 LIG 合成的影响

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111701

Meng Wu , Fei Wang , Xin Gao , Yuyao Li , Chengshuang Zhang , Yanling Bao , Yingbo Ruan , Mingjun Zhang , Zhongmin Su

Laser-induced graphene (LIG) technology, a technique for preparing three-dimensional porous graphene by laser direct writing on carbon precursors under ambient condition, has been widely used due to its low cost and high efficiency. However, there is still a lack of research on the influence of the defocusing on LIG synthesis. In this paper, LIG is prepared by UV laser on Polyetheretherketone (PEEK) film, and a finite element simulation of this process is established to infer the temperature field. The influence of the defocusing on the structure, morphology, specific surface area SSA, and electrical properties of PEEK-LIG is investigated while maintaining the same energy radiated per unit area. The results show that the defocusing changes the structure and morphology of PEEK-LIG by affecting the temperature field distribution in both the surface and thickness directions, which affects the properties of LIG, where the surface area ratio S_dr does not depend on the defocusing amount monotonically. As the UV laser nears the beam waist at the threshold of LIG formation, S_dr has its maximum value and improves its electrical conductivity.

激光诱导石墨烯（LIG）技术是一种在常温条件下通过激光直接写入碳前驱体制备三维多孔石墨烯的技术，因其成本低、效率高而得到广泛应用。然而，关于离焦对 LIG 合成的影响的研究仍然缺乏。本文利用紫外激光在聚醚醚酮（PEEK）薄膜上制备 LIG，并建立了该过程的有限元模拟，以推断温度场。在保持单位面积辐射能量不变的情况下，研究了散焦对 PEEK-LIG 的结构、形态、比表面积 SSA 和电性能的影响。结果表明，散焦通过影响表面和厚度方向的温度场分布，改变了 PEEK-LIG 的结构和形态，从而影响了 LIG 的性能，其中比表面积 Sdr 并不单调地依赖于散焦量。当紫外激光接近 LIG 形成阈值处的束腰时，Sdr 达到最大值，从而提高了导电性。

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引用次数: 0

Syntheses of stable and hydrophilic large-size halogenated graphene oxide-like materials for studying effects of halogenation on their electrochemical and optical properties 合成稳定的亲水性大尺寸卤化氧化石墨烯类材料，用于研究卤化对其电化学和光学特性的影响

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111717

Yun-Ling Yang, Chao-Zhi Zhang

Graphene derivatives has popularly applied in electron, laser, etc. Pulse laser devices need excellent graphene oxide derivatives, which should be easily made into stable films in air for fabricating high-performance laser devices. In this paper, stable and hydrophilic halogenated graphene oxide-like with hydroxyl groups (GOLH) materials were synthesized to study their electrochemical properties and application in solid pulse laser devices. Experimental results showed that the highest occupied molecular orbital energy level (E_HOMO) and the lowest unoccupied molecular orbital energy level (E_LUMO) values of three halogenated materials were 0.09–0.27 eV and 0.08–0.12 eV lower than those of GOLH, respectively. The mothed of Cl atoms replacing hydroxyl groups on the surfaces of GOLH can be applied in tuning the energy band gap (E_g) of graphene oxide derivatives. Halo elements partly substituting the hydroxyl groups on the surface of GOLH elongated insignificantly pulse duration of the signals of solid pulse lasers. Therefore, halo elements partly substituting the hydroxyl groups on the surface of GO derivatives would be a useful method of improving electrochemical stabilities of GO derivatives, tuning E_HOMO, E_LUMO and E_g of GO derivatives and preparing good optical materials for fabricating solid pulse lasers with stable signal intensity and narrow pulse duration.

石墨烯衍生物已广泛应用于电子、激光等领域。脉冲激光设备需要性能优异的氧化石墨烯衍生物，这种衍生物应易于在空气中制成稳定的薄膜，以制造高性能的激光设备。本文合成了稳定的带羟基的亲水卤代氧化石墨烯（GOLH）材料，研究其电化学性质及在固体脉冲激光器件中的应用。实验结果表明，三种卤化材料的最高占有分子轨道能级（EHOMO）和最低未占有分子轨道能级（ELUMO）值分别比 GOLH 低 0.09-0.27 eV 和 0.08-0.12 eV。用 Cl 原子取代 GOLH 表面的羟基可用于调节氧化石墨烯衍生物的能带隙（Eg）。部分取代 GOLH 表面羟基的光环元素显著延长了固体脉冲激光器信号的脉冲持续时间。因此，部分取代石墨烯衍生物表面羟基的光环元素将是一种有效的方法，可以提高石墨烯衍生物的电化学稳定性，调节石墨烯衍生物的 EHOMO、ELUMO 和 Eg，并制备出良好的光学材料，用于制造具有稳定信号强度和较窄脉冲持续时间的固体脉冲激光器。

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引用次数: 0

Graphene modulator and 2-bit encoder based on plasma induced transparency effect 基于等离子体诱导透明效应的石墨烯调制器和 2 位编码器

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111715

Chengjian Dai , Boxun Li , Lili Zeng , Qiang Wang , Zhiguo Chen , Yingxing Zeng , Xingjiao Zhang , Chaosheng Deng

Within this study, a periodic metasurface structure made up of two graphene strips, two fan-shaped graphene and a square ring graphene with notches is introduced to achieve plasma-induced transparency (PIT). The PIT effect is analyzed utilizing the Lorentz oscillatory coupling model, and it has been discovered that the theoretical values closely match the simulated values. The role of the Fermi level adjustments in graphene on the PIT effect was examined, and the PIT window was dynamically modified as the Fermi level changed, which was used to realize a 2-bit graphene encoder at 5.78 THz and 7.18 THz. The encoder boasts a greatest modulation depth of 80.9 % and exhibits a minimal insertion loss of 0.17 dB. By controlling the polarization direction of the incident photoelectric field, a high performance dual-channel switching modulator is successfully realized. Moreover, by increasing carrier mobility, the depth of modulation for the modulator at 11.22 THz is increased from 97.5 % to 99.5 %, and the insertion loss has dropped from 0.075 dB to 0.06 dB. In addition, the structure has superior sensing properties and slow light properties, featuring a sensitivity reaching up to 1.07 THz/RIU and a maximum group index of 293. The outcomes of our study contribute novel insights for the advancement of modulator, encoder, sensor technology and slow-light devices.

在这项研究中，为了实现等离子体诱导透明（PIT），引入了一种由两条石墨烯带、两个扇形石墨烯和一个带缺口的正方形环形石墨烯组成的周期性元表面结构。利用洛伦兹振荡耦合模型分析了 PIT 效应，发现理论值与模拟值非常接近。研究了石墨烯费米级调整对 PIT 效应的作用，并随着费米级的变化动态修改了 PIT 窗口，从而在 5.78 THz 和 7.18 THz 频率下实现了 2 位石墨烯编码器。该编码器的最大调制深度为 80.9%，插入损耗仅为 0.17 dB。通过控制入射光电场的偏振方向，成功实现了高性能双通道开关调制器。此外，通过提高载流子迁移率，该调制器在 11.22 THz 频率下的调制深度从 97.5 % 提高到 99.5 %，插入损耗从 0.075 dB 下降到 0.06 dB。此外，该结构还具有卓越的传感特性和慢光特性，灵敏度高达 1.07 THz/RIU，最大群指数为 293。我们的研究成果为调制器、编码器、传感器技术和慢光器件的发展提供了新的见解。

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引用次数: 0

Unveiling Bi-decorated graphitic carbon nitride nanostructures for electrochemical sensors 揭开用于电化学传感器的双装饰氮化石墨碳纳米结构的神秘面纱

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111704

Imran Hasan , Mohammad Al-Bahrani , Prakash Kanjariya , Anjan Kumar , R. Hannah Jessie Rani , Safaa Mohammed Ibrahim , Ashish Singh , Manbir Kaur

Developing sensitive and stable probes to monitor accurate quantification of anti-cancer drugs like nilutamide in human biofluids is critical for effective cancer monitoring and treatment. The current study aimed on synthesis bismuth-doped graphitic carbon nitride nanocomposite as an electrochemical probe for measuring nilutamide material. Graphitic carbon nitride (g-C₃N₄) was prepared via a simple thermally induced copolymerization. Then, the g-C₃N₄ layers were decorated with bismuth (Bi) to boost the quality of forming and interface between g-C₃N₄ and Bi, therefore improving the electrochemical activity of the Bi-decorated g-C₃N₄ system. The synthesized Bi-decorated g-C₃N₄ material was studied by FESEM, XRD, TEM, EDX, FTIR, XPS, Raman, BET, UV–Vis and PL to confirm successful Bi incorporation of g-C₃N₄ material. The investigations revealed that an excellent detection limit of 0.38 ppb (0.0012 nM) can be achieved using Bi-doped g-C₃N₄ as an electrochemical sensor. A linear dynamic range of 5–160 ppb was observed for the sensing of nilutamide. Notably, the developed sensor showed good reproducibility with a relative standard deviation value of 3.78 %. In the future research, the potential of developed sensor developed to sensitively and selectively other molecules should be investigated in environmental samples. In addition, the Bi-decorated g-C₃N₄/GCE showed good sensitivity in a pH range to probe the nilutamide material.

开发灵敏稳定的探针来监测人体生物流体中尼鲁他胺等抗癌药物的准确定量，对于有效监测和治疗癌症至关重要。本研究旨在合成掺铋氮化石墨纳米复合材料，作为测量尼鲁他胺的电化学探针。氮化石墨（g-C3N4）是通过简单的热诱导共聚制备的。然后，用铋（Bi）对 g-C3N4 层进行装饰，以提高 g-C3N4 与 Bi 之间形成界面的质量，从而提高 Bi-decorated g-C3N4 系统的电化学活性。通过 FESEM、XRD、TEM、EDX、FTIR、XPS、拉曼、BET、UV-Vis 和 PL 等方法对合成的铋装饰 g-C3N4 材料进行了研究，以确认 g-C3N4 材料成功地加入了铋。研究表明，使用掺杂了铋的 g-C3N4 作为电化学传感器，可以达到 0.38 ppb（0.0012 nM）的出色检测限。尼鲁他胺的检测线性动态范围为 5-160 ppb。值得注意的是，所开发的传感器具有良好的重现性，相对标准偏差值为 3.78%。在未来的研究中，应调查所开发的传感器在环境样品中灵敏和选择性地检测其他分子的潜力。此外，双装饰 g-C3N4/GCE 在 pH 值范围内对尼鲁他胺材料的探测显示出良好的灵敏度。

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引用次数: 0

Green preparation of GQDs with small particle size, low defects, and high quantum yield by using hydrodynamic cavitation technology 利用流体动力空化技术绿色制备小粒径、低缺陷和高量子产率的 GQDs

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111700

Dawei Fang , Yonghao Li , Yixiang Hu , Jince Zhang , Xiaochen Qi , Yukun Chen , Taiyu Jin , Jun Wang

In this work, the hydrodynamic cavitation (HC) method with simple operation, low cost, high safety and large-scale production was applied to prepare GQDs. The expandable graphite powder as the raw material was treated by utilizing a microwave oven and then continuously exfoliated in venturi HC device. Finally, the GQDs with the advantages of small particle size, uniform size distribution, low defects, good water solubility and high quantum yield can be obtained by simple filtration. The GQDs are prepared by using the HC method without the use of acids and the introduction of impurities in the entire preparation process. The effects of HC cycle time, inlet pressure and fluid temperature on the property of GQDs were investigated. The results showed that GQDs with particle size of 1.77 ± 0.03 nm, size distribution in the range of 1.25–2.25 nm and fluorescence quantum yield of 36.77 % were obtained at 14 h HC cycling time, 3.0 bar inlet pressure and 50 °C temperature. The obtained GQDs solution has the advantages of strong fluorescence, high concentration and good stability. According to the atomic force microscope (AFM) image analysis, it can be seen that the HC technique can be used to prepare single-layer GQDs. It is hoped that the present work can provide a possibility for the preparation of few-layer GQDs on a certain scale.

本研究采用操作简单、成本低、安全性高、可大规模生产的流体动力空化（HC）方法制备 GQD。以可膨胀石墨粉为原料，利用微波炉进行处理，然后在文丘里空化装置中进行连续空化。最后，通过简单的过滤就能得到粒径小、尺寸分布均匀、缺陷少、水溶性好、量子产率高的 GQDs。采用碳氢化合物法制备 GQDs，在整个制备过程中不使用酸，也不引入杂质。研究了碳氢化合物循环时间、入口压力和流体温度对 GQDs 性能的影响。结果表明，在碳氢化合物循环时间为 14 小时、入口压力为 3.0 巴、温度为 50 ℃的条件下，得到的 GQDs 的粒度为 1.77 ± 0.03 nm，粒度分布范围为 1.25-2.25 nm，荧光量子产率为 36.77 %。得到的 GQDs 溶液具有荧光强、浓度高、稳定性好等优点。根据原子力显微镜（AFM）图像分析可知，HC 技术可用于制备单层 GQDs。希望本研究能为制备一定规模的少层 GQDs 提供可能。

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引用次数: 0

Effect of nanocomposite partnering of g-C3N4 with Morinda pubescens leaf extract mediated Sr doped Ni/NiO on the photocatalytic dye detoxification: Confirmation by seed germination test g-C3N4 与巴戟天叶提取物介导的 Sr 掺杂 Ni/NiO 纳米复合材料对光催化染料解毒的影响：种子发芽试验证实

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111716

R. Sumethra , T. Jayakumari , N. Anuradha , K. Ravichandran , M. Varshini , M. Ayyanar , P.K. Praseetha

A carbonaceous 2D material g-C₃N₄ was added as the composite partner to Sr doped (Ni/NiO) to synthesize a green routed nanocomposite (Ni/NiO):Sr/g-C₃N₄ using the leaf extract of Morinda pubescens. The synthesized material was employed as a photocatalyst towards complete detoxification of synthetic toxic dyes methylene blue (MB-cationic) and rose bengal (RB- anionic) widely used in textile, leather and paper industries. The efficiency of the nanocomposite was compared with those of Ni/NiO and Ni/NiO:Sr samples. The composite formation was verified through XRD, SEM, TEM, EDAX, FTIR, UV–Vis-NIR and XPS analyses. The Sr doped (Ni/NiO)/g-C₃N₄ nanocomposite showed significant higher photocatalytic efficiency of 98 % for MB dye and 94 % for RB dye compared to (Ni/NiO):Sr (72 and 65 %) and (Ni/NiO) (83 % and 70 %) within 45 min of irradiation. The inclusion of g-C₃N₄ in the nanocomposite reduces the band gap (from 3.9 eV for Ni/NiO to 2.9 eV for (Ni/NiO):Sr/g-C₃N₄), enabling it to serve as visible light responsive photocatalyst. The stability of the material was confirmed by conducting re-cycle test. To find the role of active species involved in the photocatalysis, trapping test was conducted, the result of which showed that OH^⁎ radicals predominate over the other three species (e⁻, h⁺ and O₂⁻) in degrading the dye molecules. The attainment of complete detoxification of the test dye solutions was demonstrated by conducting seed germination test using Amaranthus viridis seeds. A superior seed germination was observed in the case of water sample treated by (Ni/NiO):Sr/g-C₃N₄ nanocomposite compared to all the other samples including the control. Thus, this eco-friendly nanocomposite synthesized using Morinda pubescens plant leaf extract shows its potential for efficient detoxification of organic dyes through photocatalytic process.

将碳质二维材料 g-C3N4 添加到掺杂锶的 Ni/NiO 中，利用巴戟天叶提取物合成了绿色溃散纳米复合材料 (Ni/NiO)：Sr/g-C3N4。合成材料被用作光催化剂，用于完全解毒纺织、皮革和造纸工业中广泛使用的合成有毒染料亚甲基蓝（阳离子）和玫瑰红（阴离子）。纳米复合材料的效率与 Ni/NiO 和 Ni/NiO:Sr 样品的效率进行了比较。通过 XRD、SEM、TEM、EDAX、FTIR、UV-Vis-NIR 和 XPS 分析验证了复合材料的形成。与（Ni/NiO）：Sr（72% 和 65%）和（Ni/NiO）（83% 和 70%）相比，掺杂 Sr 的（Ni/NiO）/g-C3N4 纳米复合材料在辐照 45 分钟内对 MB 染料和 RB 染料的光催化效率分别达到 98% 和 94%。在纳米复合材料中加入 g-C3N4 降低了带隙（从 Ni/NiO 的 3.9 eV 降至 (Ni/NiO):Sr/g-C3N4 的 2.9 eV），使其能够用作可见光响应型光催化剂。该材料的稳定性已通过再循环测试得到证实。为了找出光催化过程中的活性物种，进行了捕获试验，结果表明在降解染料分子时，OH⁎ 自由基比其他三种（e-、h+ 和 O2-）自由基更主要。通过使用马齿苋种子进行种子发芽试验，证明了试验染料溶液完全解毒。与包括对照组在内的所有其他样品相比，经（Ni/NiO）:Sr/g-C3N4 纳米复合材料处理的水样的种子发芽率更高。因此，这种利用巴戟天植物叶提取物合成的环保型纳米复合材料显示了其通过光催化过程高效解毒有机染料的潜力。

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引用次数: 0

Enhanced interfacial properties of Ni-coated Ti3C2 MXene on Al-matrix composites: A first-principles investigation 增强铝基复合材料上镍涂层 Ti3C2 MXene 的界面性能：第一原理研究

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-28 DOI: 10.1016/j.diamond.2024.111712

Zhibin Liu , Ying Ling , Wenjie Hu , Hong Yan

Ti₃C₂ MXene may have a far-reaching prospect as a reinforcing phase for Al-matrix composites. Coating Ni on the Ti₃C₂ surface is an important method to improve the wettability of the Al-Ti₃C₂ interface and to enhance the bonding strength between Ti₃C₂ and the Al matrix. In this paper, the interfacial relationships of Al/Ti₃C₂ and Ni/Ti₃C₂ interfaces are investigated by means of first-principles calculations, and the differences between Al(111) and Ni(111) and Ti₃C₂(001) are compared. Firstly, the Al(111)/Ti₃C₂(001) and Ni(111)/Ti₃C₂(001) interface structures are constructed by lattice mismatch theory. Then, the adhesion work and interface energy of the two interfacial structures are calculated. The results show that the adhesion work and interface energy of Al(111)/Ti₃C₂(001) are 2.5 J/m² and − 0.15 J/m², respectively, and those of Ni(111)/Ti₃C₂(001) are 4.03 J/m² and 0.77 J/m², respectively. Finally, the electronic properties of the Al(111)/Ti₃C₂(001) and Ni(111)/Ti₃C₂(001) interfaces are analyzed and discussed. The results indicate that the main bonding type of Al(111)/Ti₃C₂(001) is metallic bonding, while that of Ni(111)/Ti₃C₂(001) is ionic and metallic bonding. By analyzing the interfacial properties of Ti₃C₂ MXene with Al after Ni coating on its surface from the perspective of theoretical calculations, this work provides theoretical support for analyzing the improvement of interfacial structure of Al-matrix composites by Ni-coated Ti₃C₂.

Ti3C2 MXene 作为铝基复合材料的增强相可能具有深远的前景。在 Ti3C2 表面镀镍是改善 Al-Ti3C2 界面润湿性、提高 Ti3C2 与铝基体结合强度的重要方法。本文通过第一性原理计算研究了 Al/Ti3C2 与 Ni/Ti3C2 界面的界面关系，并比较了 Al(111) 与 Ni(111) 和 Ti3C2(001) 之间的差异。首先，通过晶格失配理论构建了 Al(111)/Ti3C2(001) 和 Ni(111)/Ti3C2(001) 的界面结构。然后，计算了两种界面结构的附着功和界面能。结果表明，Al(111)/Ti3C2(001) 的附着功和界面能分别为 2.5 J/m2 和 - 0.15 J/m2，而 Ni(111)/Ti3C2(001) 的附着功和界面能分别为 4.03 J/m2 和 0.77 J/m2。最后，分析并讨论了 Al(111)/Ti3C2(001) 和 Ni(111)/Ti3C2(001) 界面的电子特性。结果表明，Al(111)/Ti3C2(001) 的主要成键类型是金属键，而 Ni(111)/Ti3C2(001) 的主要成键类型是离子键和金属键。通过从理论计算的角度分析 Ti3C2 MXene 表面镀镍后与铝的界面性质，该研究为分析镍镀 Ti3C2 对铝基体复合材料界面结构的改善提供了理论支持。

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引用次数: 0

Novel onion flower-derived biochar for high-performance sustainable supercapacitor applications 用于高性能可持续超级电容器的新型洋葱花生物炭

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials

Pub Date : 2024-10-26 DOI: 10.1016/j.diamond.2024.111703

Felix A. Kwarteng , Ahmed A.R. Abdel-Aty , Sayed R.E. Mohamed , Mohsen A. Hassan , Hidenori Ohashi , Nieves López-Salas , Wael M. Semida , Ahmed S.G. Khalil

Onions, scientifically known as Allium cepa L., are commonly used as a vegetable and offer a variety of health benefits. However, this study explored a novel part of the onion plant, such as the flower seed cover often regarded as waste, by converting it into biochar (BC) via pyrolysis. Through careful optimization and activation with potassium hydroxide, the resulting novel biochar exhibited a unique graphitic nanosheet-like structure with an impressive surface area of 2538.31 m²/g. To serve as a control, rice straw, one of the most commonly used biomasses, was also activated using the same protocol. Various techniques, including XPS, HRTEM, SAED, FTIR, BET, XRD, and Raman, were used to comprehensively understand the surface and structural properties of the biochar. When the novel biochar was tested as an energy storage material, it exhibited a specific capacitance of 200.37 F/g at 1 A/g and 143.82 F/g at 5 A/g in a 1 M H₂SO₄ electrolyte with a three-electrode system. In a two-electrode system, it showed 158 F/g at 1 A/g and 102 F/g at 5 A/g, indicating its effectiveness at high rates. The long-term cyclic stability analysis demonstrated 100 % capacity retention over 1000 cycles in the three-electrode system, and 90.77 % and 74.40 % retention after 5000 cycles and 10,000 cycles, respectively, in the two-electrode system. The fabricated symmetric supercapacitor yielded a power density of 500 W/kg and an energy density of 21.94 Wh/kg at a current density of 1 A/g. These findings provide valuable insights into the valorization of biomass in addressing concerns regarding the current energy storage dilemma.

洋葱（学名 Allium cepa L.）通常被用作蔬菜，具有多种健康益处。然而，这项研究探索了洋葱植物的一个新部分，例如通常被视为废物的花籽覆盖层，通过热解将其转化为生物炭（BC）。经过精心优化和氢氧化钾活化，新型生物炭呈现出独特的石墨纳米片状结构，表面积高达 2538.31 m2/g。作为对照，最常用的生物质之一水稻秸秆也采用相同的方法进行活化。为了全面了解生物炭的表面和结构特性，我们采用了各种技术，包括 XPS、HRTEM、SAED、傅立叶变换红外光谱、BET、XRD 和拉曼光谱。将新型生物炭作为储能材料进行测试时，在三电极系统的 1 M H2SO4 电解质中，生物炭在 1 A/g 时的比电容为 200.37 F/g，在 5 A/g 时的比电容为 143.82 F/g。在双电极系统中，它在 1 A/g 和 5 A/g 时分别显示出 158 F/g 和 102 F/g，表明它在高速率下的有效性。长期循环稳定性分析表明，在三电极系统中，1000 次循环后的容量保持率为 100%；在双电极系统中，5000 次循环和 10,000 次循环后的容量保持率分别为 90.77% 和 74.40%。在电流密度为 1 A/g 时，所制造的对称超级电容器的功率密度为 500 W/kg，能量密度为 21.94 Wh/kg。这些发现为生物质的价值化提供了宝贵的见解，有助于解决目前能源存储的困境。

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