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Carbyne as a promising material for E-nose applications with machine learning. 通过机器学习,将卡宾作为电子鼻应用的理想材料。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-19 DOI: 10.1088/1361-6528/ad947c
Alexey Kucherik, Ashok Kumar, Abramov Andrey, Vladislav Samyshkin, Osipov Anton, Ilya Bordanov, Sergey Andreevich Shchanikov, Mahesh Kumar

There has been a lot of study and advancement in the area of carbon allotropes in the last several decades, driven by the exceptional and diverse physical and chemical characteristics of carbon nanomaterials. For example, nanostructured forms such as carbon nanotubes, graphene, and carbon quantum dots have the potential to revolutionize various industries [1-3]. The global scientific community continues to research in the field of creating new materials, particularly low-dimensional carbon allotropes such as carbon nanotubes (CNTs) and carbyne. Carbyne is a one-dimensional carbon allotrope with a large surface area, chemical reactivity, and gas molecule adsorption potential that makes it extremely sensitive to gases and electronic nose (E-nose) applications due to its linear sp-hybridized atomic chain structure. The primary objective of this work is to increase the sensitivity, selectivity, and overall efficiency of E-nose systems using a synergistic combination of carbyne-based sensing components with cutting-edge machine learning techniques. The exceptional electronic properties of carbyne, such as its high electron mobility and adjustable bandgap, enable rapid and specific adsorption of various gas molecules. Additionally, its significant surface area-to-volume ratio enhances the detection of trace concentrations. Our suggested advanced hybrid system utilises support vector machines (SVMs) and convolutional neural networks (CNNs) as sophisticated machine learning approaches to analyse data provided by carbyne sensors. These algorithms enhance the precision and durability of gas detection by effectively recognising intricate patterns and correlations in the sensor data. Empirical evidence suggests that E-nose systems based on carbyne have superior performance in terms of reaction time, sensitivity, and specificity compared to conventional materials. This research emphasises the revolutionary potential of carbyne in the advancement of next-generation gas sensing systems, which has significant implications for applications in environmental monitoring, medical diagnostics, and industrial process control. .

过去几十年来,由于碳纳米材料具有卓越而多样的物理和化学特性,人们在碳同素异形体领域进行了大量研究,并取得了很大进展。例如,碳纳米管、石墨烯和碳量子点等纳米结构形式有可能给各行各业带来革命性的变化 [1-3]。全球科学界继续在创造新材料领域开展研究,尤其是低维碳同素异形体,如碳纳米管(CNTs)和碳化碳(carbyne)。卡宾是一种一维碳同素异形体,具有较大的表面积、化学反应活性和气体分子吸附潜力,由于其线性sp杂化原子链结构,使其对气体和电子鼻(E-nose)应用极为敏感。这项工作的主要目标是利用基于碳粉的传感元件与尖端机器学习技术的协同组合,提高电子鼻系统的灵敏度、选择性和整体效率。碳化烯具有优异的电子特性,如高电子迁移率和可调带隙,能快速、特异地吸附各种气体分子。此外,其显著的表面积与体积比也提高了对痕量浓度的检测能力。我们建议的先进混合系统利用支持向量机(SVM)和卷积神经网络(CNN)作为复杂的机器学习方法来分析卡宾传感器提供的数据。这些算法能有效识别传感器数据中错综复杂的模式和相关性,从而提高气体检测的精度和耐用性。经验证据表明,与传统材料相比,基于卡宾的电子鼻系统在反应时间、灵敏度和特异性方面具有更优越的性能。这项研究强调了卡宾在推动下一代气体传感系统方面的革命性潜力,对环境监测、医疗诊断和工业过程控制等应用具有重要意义。
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引用次数: 0
Comparative performance analysis of unmixed and mixed metal oxide sensors for dual-sensing leveraging machine learning. 利用机器学习对用于双传感的未混合和混合金属氧化物传感器进行性能比较分析。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-19 DOI: 10.1088/1361-6528/ad947e
Binowesley Ramakrishnan, Kirubaveni Savarimuthu, M Emimal

This paper presents the synthesis of mixed metal oxide (BaTiO3: ZnO) (B: Z) sensors with various molar ratios using a low- temperature hydrothermal method for dual sensing applications (gas and acceleration). The sensor developed with an equal molar ratio of 1B:1Z, showcases superior performance compared to unmixed and alternative mixed metal oxide sensors. This equilibrium in ratios optimally enhances synergistic effects between elements B and Z, resulting in improved sensing properties. Furthermore, it contributes to structural stability, enhancing performance in gas and acceleration sensing. A decreased band gap of 2.82eV and a rapid turn-on voltage of 0.18V were achieved. The acceleration performance of 1B:1Z sensor exhibits a maximum voltage of 2.62 V at a 10 Hz resonant frequency and an output voltage of 2.52 V at 1 g acceleration, achieving an improved sensitivity of 3.889 V/g. In addition, the proposed gas shows a notable sensor response of ~63.45% (CO) and 58.29% (CH4) at 10 ppm with a quick response time of 1.19s (CO) and 8.69s (CH4) and recovery time of 2.09s (CO) and 8.69s (CH4). Challenges in selectivity are addressed using machine learning, employing various classification algorithms. Linear Discriminant Analysis (LDA) achieves superior accuracy in differentiating between CO and CH4, reaching 96.6 % for CO and 74.6 % for CH4 at 10 ppm. Understanding these concentration-dependent trends can guide the optimal use of the sensors in different current applications. .

本文介绍了采用低温水热法合成不同摩尔比的混合金属氧化物(BaTiO3:ZnO)(B:Z)传感器,用于双重传感应用(气体和加速度)。与未混合和其他混合金属氧化物传感器相比,采用 1B:1Z 等摩尔比开发的传感器性能更优。这种均衡的比例可优化增强 B 和 Z 元素之间的协同效应,从而提高传感性能。此外,它还有助于提高结构稳定性,增强气体和加速度传感性能。这种传感器的带隙减小到 2.82eV,快速开启电压为 0.18V。1B:1Z 传感器的加速性能在谐振频率为 10 Hz 时的最大电压为 2.62 V,在加速度为 1 g 时的输出电压为 2.52 V,灵敏度提高到 3.889 V/g。此外,在 10 ppm 的浓度下,拟议气体的传感器响应速度为 63.45%(CO)和 58.29%(CH4),响应时间分别为 1.19 秒(CO)和 8.69 秒(CH4),恢复时间分别为 2.09 秒(CO)和 8.69 秒(CH4)。利用机器学习和各种分类算法解决了选择性方面的难题。线性判别分析 (LDA) 在区分一氧化碳和甲烷方面取得了卓越的准确性,在 10 ppm 浓度下,一氧化碳和甲烷的准确率分别达到 96.6% 和 74.6%。了解这些随浓度变化的趋势可以指导当前不同应用中传感器的最佳使用。
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引用次数: 0
Mapping nanoparticle formation and substrate heating effects: a fluence-resolved approach to pulsed laser-induced dewetting. 绘制纳米粒子形成和基底加热效应图:脉冲激光诱导露化的通量分辨方法。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-19 DOI: 10.1088/1361-6528/ad947d
Artemisa Mazón-Martínez, Tupak García-Fernández, Marco Antonio Antonio Martinez Fuentes, Citlali Sánchez-Aké

This study investigates the fluence-dependent evolution of gold nanoparticles formed through single nanosecond pulsed laser dewetting of a gold thin film on a fused silica substrate. By employing a well-defined Airy-like laser spatial profile and reconstructing SEM images across the irradiation spot into a panoramic view, we achieve a detailed continuous analysis of the nanoparticle formation process. Our morphological analysis, combined with finite element thermal simulations directly correlated with the applied fluence, identifies two distinct thresholds. The first threshold corresponds to the dewetting of the gold film at its melting point, resulting in large, sparse nanoparticles. The second threshold, where the substrate temperature reaches values near its melting point, leads to the formation of numerous small nanoparticles and a significant increase in coverage area. Notably, the formation of these small nanoparticles is attributed to substrate heating, which alters the interaction between the molten gold film and the substrate, increasing adhesion. Contact angle measurements of the nanoparticles confirm this change, revealing a shift in wettability, and highlighting the crucial role of substrate heating in modulating the interactions leading to nanoparticle formation. Our findings underscore the intricate interplay between laser fluence, material properties, and substrate interactions in pulsed laser dewetting, with the well-defined laser profile offering valuable insights into these dynamics.

本研究探讨了通过单纳秒脉冲激光对熔融石英基底上的金薄膜进行脱墨形成的金纳米粒子随通量变化的过程。通过采用定义明确的类似空气的激光空间轮廓,并将整个照射光斑的 SEM 图像重构为全景图,我们实现了对纳米粒子形成过程的详细连续分析。我们的形态分析与有限元热模拟相结合,直接与所应用的通量相关,确定了两个不同的阈值。第一个阈值对应于金薄膜在其熔点处的润湿,从而形成大而稀疏的纳米粒子。第二个阈值是基底温度达到接近熔点的值,会形成大量的小纳米颗粒,覆盖面积显著增加。值得注意的是,这些小纳米颗粒的形成是由于基底加热改变了熔融金膜与基底之间的相互作用,从而增加了附着力。对纳米颗粒的接触角测量证实了这一变化,揭示了润湿性的变化,突出了基底加热在调节导致纳米颗粒形成的相互作用中的关键作用。我们的研究结果凸显了脉冲激光润湿过程中激光能量、材料特性和基底相互作用之间错综复杂的相互作用,明确的激光轮廓为了解这些动态提供了宝贵的信息。
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引用次数: 0
Laser modulation of the FePS3memristors. 对 FePS3 回忆晶体管进行激光调制。
IF 4.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-18 DOI: 10.1088/1361-6528/ad9029
Shengyao Chen, Shu Wang, Wenqi Xiong, Zhican Zhou, Xiaoshan Du, Lijun Ma, Junqi Wang, Cong Wang, Xinzheng Zhang, Qian Liu

Ternary two-dimensional (2D) material-based memristors have garnered significant attention in the fields of machine learning, neuromorphic computing due to their low power consumption, rapid learning, and synaptic-like behavior. Although such memristors often exhibit high ON/OFF ratios and exceptional pulse response characteristics, they have also to face some challenges concerning reusability and switching cycles, which arise from the filament instability issues. Here we propose a modulation strategy to improve performance of 2D-material memristors with synaptic and flexible features. By laser-modulating few-layer FePS3, we induced the formation of conductive filaments, realized a major improvement in performance of the FePS3memristors, achieving an ON/OFF ratio of nearly 104, low power consumption at approximately 10-7W of single switching operation, and maintaining stability even after over 500 cycles. The performance promotion has been ascribed to enhancement of conductive filament induced by laser-modulation. Furthermore, we have identified the effectiveness of our laser modulation under strain by building the high-performance flexible FePS3memristor. Meanwhile, we discovered a novel strain-dominant erasure method for the flexible memristors. Our work confirms that laser modulation is a viable method for enhancing the performance of 2D material-based memristive devices.

基于三元二维(2D)材料的忆阻器因其低功耗、快速学习和类似突触的行为而在机器学习和神经形态计算领域备受关注。虽然这种忆阻器通常表现出高导通/关断比和优异的脉冲响应特性,但它们也面临着一些有关可重复使用性和开关周期的挑战,这些挑战是由灯丝不稳定性问题引起的。在此,我们提出了一种调制策略,以提高具有突触和柔性特征的二维材料忆阻器的性能。通过激光调制少层 FePS3,我们诱导了导电丝的形成,实现了 FePS3 Memristors 性能的大幅提升,达到了近 104 的导通/关断比,单次开关操作功耗低至约 10-7 W,并且在超过 500 次循环后仍能保持稳定。性能的提升归因于激光调制引起的导电丝的增强。此外,我们还通过构建高性能柔性 FePS3 记忆晶闸管,确定了激光调制在应变条件下的有效性。同时,我们还发现了一种适用于柔性忆阻器的新型应变主导擦除方法。我们的工作证实,激光调制是提高基于二维材料的忆阻器性能的一种可行方法。
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引用次数: 0
Laser-assisted synthesis and modification of 2D materials. 激光辅助合成和改性二维材料。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-18 DOI: 10.1088/1361-6528/ad892a
Yejun Lee, Sunhwa Hong, Issac Moon, Chan-Jin Kim, Yunseok Lee, Byung Hee Hong

Two-dimensional (2D) materials with unique physical, electronic, and optical properties have been intensively studied to be utilized for the next-generation electronic and optical devices, and the use of laser energy in the synthesis and modification of 2D materials is advantageous due to its convenient and fast fabrication processes as well as selective, controllable, and cost-effective characteristics allowing the precise control in materials properties. This paper summarizes the recent progress in utilizations of laser technology in synthesizing, doping, etching, transfer and strain engineering of 2D materials, which is expected to provide an insight for the future applications across diverse research areas.

具有独特物理、电子和光学特性的二维材料已被深入研究,以用于下一代电子和光学设备,而利用激光能量合成和改性二维材料因其方便快捷的制造工艺以及选择性、可控性和成本效益高的特点而具有优势,可实现对材料特性的精确控制。本文总结了利用激光技术合成、掺杂、蚀刻、转移和应变工程二维材料的最新进展,希望能为未来在不同研究领域的应用提供启示。
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引用次数: 0
Room-temperature ferromagnetic MnGa nanoparticles in dilute magnetic semiconductor (Ga, Mn)As thin film: preparation and characterization. 稀磁半导体(Ga, Mn)As 薄膜中的室温铁磁性 MnGa 纳米粒子:制备与表征。
IF 4.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1088/1361-6528/ad8e6d
Juanmei Duan, Zichao Li, Viktor Begeza, Shuangchen Ruan, Yu-Jia Zeng, Wei Tang, Hsu-Sheng Tsai

The GaAs based diluted magnetic semiconductor, (Ga, Mn)As, with the unique advantage of manipulating the spin and charge was widely investigated in the scientific community and considered as a potential material for the spintronic devices. However, its Curie temperature (Tc), which is limited to around 200 K, hinders the research progress of diluted magnetic semiconductors for potential device applications. Herein, we propose an approach to prepare the MnGa nanoparticles embedded in (Ga, Mn)As matrix using the magnetron sputtering deposition of Mn on GaAs surface, followed by the nano-second pulsed laser annealing (PLA), which gives aTcabove 400 K. We demonstrate that the MnGa nanoparticles are only formed in (Ga, Mn) As thin film during the nano-second PLA under a critical range of energy density (0.4-0.5 J cm-2). The highest achieved coercivity, saturation magnetization and remanent magnetization are 760 Oe, 11.3 emu cm-3and 9.6 emu cm-3, respectively. This method for preparing the hybrid system of ferromagnetic metal/dilute magnetic semiconductor builds a platform for exploring the interesting spin transport phenomenon and is promising for the application of spintronic devices.

稀释磁性半导体(Ga, Mn)As 具有操纵自旋和电荷的独特优势,受到科学界的广泛研究,并被视为自旋电子器件的潜在材料。然而,它的居里温度(Tc)限制在 200 K 左右,阻碍了稀磁半导体在潜在器件应用方面的研究进展。在此,我们提出了一种在 GaAs 表面磁控溅射沉积锰,然后进行纳秒脉冲激光退火的方法来制备嵌入在(Ga, Mn)As 基体中的 MnGa 纳米粒子,从而使 Tc 超过 400 K。我们证明,只有在临界能量密度范围(0.4-0.5 J/cm2)内,MnGa 纳米粒子才会在纳秒脉冲激光退火过程中形成。这种制备铁磁金属/稀磁半导体混合体系的方法为探索有趣的自旋输运现象搭建了一个平台,并有望应用于自旋电子器件。
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引用次数: 0
MoS2/porous carbon nanofiber heterostructures for efficient evaporation-driven generators. 用于高效蒸发驱动发电机的 MoS2/多孔碳纳米纤维异质结构。
IF 4.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1088/1361-6528/ad8bca
Haoyu Ma, Zhicheng Zhou, Fengnan Chen, Lutao Li, Ruonan Wang, Yaqi Ye, Jiating Li, Guifu Zou, Juntong Zhu

Evaporation power generators (EPGs) based on natural water evaporation can directly convert heat energy from the surrounding environment into electrical energy. Nevertheless, the commercialization of EPGs faces challenges due to the low charge generation and transport efficiency of single material systems, leading to unsatisfactory open-circuit voltages and short-circuit currents. Here, we systematically prepared molybdenum sulfide (MoS2)/porous carbon nanofiber (PCNF) heterogeneous systems by electrospinning and hydrothermal methods. Electron microscope measurements have confirmed the uniform coating of high-crystalline quality MoS2nanosheets on PCNF fabrics, and the uneven concave-convex surface increased the specific surface area. MoS2covered PCNF fabrics retained excellent hydrophilicity, which was suitable for absorbing water and keeping the surface wet during long-term evaporation. Moreover, layered MoS2with rich surface charge improved the charge transfer of the MoS2/PCNF fabrics. As a result, the open-circuit voltage and short-circuit current of the EPGs fabricated with MoS2/PCNF fabrics were enhanced to 0.25 V and 75μA, respectively, in comparison to those based on PCNF fabrics, which demonstrated that the MoS2coatings improved the interaction area with water and the charge transfer effect of the EPGs. This heterogeneous combination strategy provides ideas for the preparation of high-performance EPG materials.

基于自然水蒸发的蒸发发电装置(EPG)可将周围环境中的热能直接转化为电能。然而,由于单一材料系统的电荷生成和传输效率较低,导致开路电压和短路电流不理想,蒸发发电装置难以实现商业化。在这里,我们通过电纺丝和水热法逐步制备了 MoS2/多孔碳纳米纤维(PCNF)异质系统。电子显微镜测量证明,高结晶质量的 MoS2 纳米片均匀地涂覆在 PCNF 织物上,凹凸不平的表面增加了比表面积。覆盖了 MoS2 的 PCNF 织物保持了良好的亲水性,适合吸水并在长期蒸发过程中保持表面湿润。此外,具有丰富表面电荷的分层 MoS2 改善了 MoS2/PCNF 织物的电荷转移。因此,与基于 PCNF 织物的 EPG 相比,使用 MoS2/PCNF 织物制备的 EPG 的开路电压和短路电流分别提高到了 0.25 V 和 75 μA,这表明 MoS2 涂层改善了 EPG 与水的相互作用面积和电荷转移效果。这种异质组合策略为制备高性能 EPG 材料提供了思路。
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引用次数: 0
Investigating the impact of ITO substrates on the optical and electronic properties of WSe2monolayers. 研究 ITO 衬底对 WSe2 单层的光学和电子特性的影响。
IF 4.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1088/1361-6528/ad8fb4
Thiago G L Brito, Fábio J R Costa, Alisson Ceccatto, Charles A N de Almeida, Abner de Siervo, Odilon D D Couto, Ingrid David Barcelos, Luiz Fernando Zagonel

Two-dimensional (2D) materials, particularly transition metal dichalcogenides (TMDs), have gathered significant attention due to their interesting electrical and optical properties. Among TMDs, monolayers of WSe2exhibit a direct band gap and high exciton binding energy, which enhances photon emission and absorption even at room temperature. This study investigates the electronic and optical properties of WSe2monolayers when they are mechanically transferred to indium tin oxide (ITO) substrates. ITO is a transparent conducting electrode (TCE) used in many industrial optoelectronic applications. Samples were mechanically transferred under ambient conditions, consequently trapping an adsorbate layer of atmospheric molecules unintentionally between the monolayer and the substrate. To reduce the amount of adsorbates, some samples were thermally annealed. Atomic force microscopy confirmed the presence of the adsorbate layer under the TMD and its partial removal after annealing. X-ray photoelectron spectroscopy confirmed the presence of carbon species among the adsorbates even after annealing. Photoluminescence measurements show that WSe2remains optically active on ITO even after annealing. Moreover, the luminescence intensity and energy are affected by the amount of adsorbates under the WSe2monolayer. Scanning tunnelling spectroscopy reveals that the TMD monolayer is n-doped, and that its band edges form a type I band alignment with ITO. Surface potential measurements show a polarity change after annealing, indicating that polar molecules, most likely water, are being removed. This comprehensive study shows that a TCE does not quench WSe2luminescence even after a prolonged thermal annealing, although its optical and electronic properties are affected by unintentional adsorbates. These findings provide insights for better understanding, controlling, and design of 2D material heterostructures on TCEs.

二维(2D)材料,特别是过渡金属二卤化物(TMDCs),因其有趣的电学和光学特性而备受关注。在 TMDCs 中,WSe2 单层具有直接带隙和高激子结合能,即使在室温下也能增强光子发射和吸收。本研究探讨了 WSe2 单层机械转移到铟锡氧化物(ITO)基底时的电子和光学特性。ITO 是一种透明导电电极 (TCE),广泛应用于工业光电子领域。样品是在环境条件下进行机械转移的,因此在单层和基底之间无意中夹带了大气分子吸附层。为了减少吸附层的数量,对一些样品进行了热退火处理。原子力显微镜(AFM)证实了 TMD 下吸附层的存在以及退火后吸附层的部分去除。X 射线光电子能谱 (XPS) 证实,即使在退火后,吸附剂中仍存在碳物种。光致发光(PL)测量结果表明,即使在退火后,WSe2 在 ITO 上仍具有光学活性。此外,发光强度和能量受 WSe2 单分子层下吸附剂数量的影响。扫描隧穿光谱显示,TMD 单层为正掺杂,其带边与 ITO 形成 I 型带排列。表面电位测量显示退火后极性发生了变化,表明极性分子(很可能是水)正在被去除。这项综合研究表明,尽管 WSe2 的光学和电子特性会受到无意吸附物的影响,但即使经过长时间的热退火,TCE 也不会熄灭 WSe2 的发光。这些发现为更好地理解、控制和设计 TCE 上的二维材料异质结构提供了启示。
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引用次数: 0
Antitumoral action of carvedilol-a repositioning study of the drug incorporated into mesoporous silica MCM-41. 卡维地洛的抗肿瘤作用--对纳入介孔二氧化硅 MCM-41 的药物的重新定位研究。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1088/1361-6528/ad902a
Wilson Rodrigues Braz, Maria Gabriela Martins de Souza, Liziane Marçal da Silva, Caroline Borges de Azevedo, Arthur Barcelos Ribeiro, Denise Crispim Tavares Barbosa, Eduardo Ferreira Molina, Emerson Henrique de Faria, Katia Jorge Ciuffi, Lucas Alonso Rocha, Carlos Henrique Gomes Martins, Mariana Brentini Santiago, Anna Lívia Oliveira Santos, Eduardo José Nassar

We have studied repositioning of carvedilol (an antihypertensive drug) incorporated into MCM-41 mesoporous silica. The repositioning proposes a reduction in the slow pace of discovery of new drugs, as well as toxicological safety and a significant reduction in high research costs, making it an attractive strategy for researchers and large pharmaceutical companies. We obtained MCM-41 bytemplatesynthesis and functionalized it by post-synthesis grafting with aminopropyltriethoxysilane (APTES) only or with folic acid (FA), which gave MCM-41-APTES and MCM-41-APTES-FA, respectively. We characterized the materials by scanning and transmission electron microscopy, zeta potential (ZP) measurements, Fourier transform infrared absorption spectroscopy, x-ray diffractometry, nitrogen gas adsorption, and CHNS elemental analysis. We quantified the percentage of drug that was incorporated into the MCM-41 materials by thermogravimetric analysis and evaluated their cytotoxic activity in non-tumor human lung fibroblasts and the tumor human melanoma and human cervical adenocarcinoma cell lines by XTT salt reduction (2,3-bis-(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-arboxanilide). The x-ray diffractograms of the MCM-41 materials displayed low-angle peaks in the 2θrange between 2° and 3°, and the materials presented type IV nitrogen adsorption isotherms and H2 hysteresis typical of the MCM-41hexagonal network. The infrared spectra, the charge changes revealed by ZP measurements, and the CHN ratios obtained from elemental analysis showed that MCM-41 was amino-functionalized, and that carvedilol was incorporated into it. MCM-41-APTES incorporated 23.80% carvedilol, whereas MCM-41 and MCM-41-APTES-FA incorporated 18.69% and 12.71% carvedilol, respectively. Incorporated carvedilol was less cytotoxic to tumor and non-tumor cells than the pure drug. Carvedilol repositioning proved favorable and encourages further studies aimed at reducing its cytotoxicity to non-tumor cells. Such studies may allow for larger carvedilol incorporation into drug carriers or motivate the search for a new drug nanocarrier to optimize the carvedilol antitumoral activity.

我们研究了卡维地洛(一种抗高血压药物)融入 MCM-41 介孔二氧化硅的重新定位。这种重新定位的方法可以降低新药发现的缓慢速度、毒理学安全性并显著降低高昂的研究成本,因此对研究人员和大型制药公司来说是一种极具吸引力的策略。我们通过模板合成获得了 MCM-41,并通过合成后接枝氨基丙基三乙氧基硅烷(APTES)或叶酸(FA)对其进行功能化,分别得到了 MCM-41-APTES 和 MCM-41-APTES-FA。我们通过扫描和透射电子显微镜、Zeta 电位(ZP)测量、傅立叶变换红外吸收光谱、X 射线衍射仪、氮气吸附和 CHNS 元素分析对材料进行了表征。我们通过热重分析量化了药物融入 MCM-41 材料的百分比,并通过 XTT 盐还原法(2,3-双-(2-甲氧基-4-硝基-5-磺酸苯基)-2H-四唑-5-甲酰苯胺)评估了这些材料在非肿瘤人肺成纤细胞、肿瘤人黑色素瘤和人宫颈腺癌细胞系中的细胞毒活性。MCM-41 材料的 X 射线衍射图在 2θ 范围内显示出 2° 和 3° 之间的低角度峰,材料呈现出典型的 MCM-41 六角网络的 IV 型氮吸附等温线和 H2 滞后。红外光谱、ZP 测量显示的电荷变化以及元素分析得出的 CHN 比率表明,MCM-41 已被氨基官能化,卡维地洛已融入其中。MCM-41-APTES 含有 23.80% 的卡维地洛,而 MCM-41 和 MCM-41-APTES-FA 含有的卡维地洛分别为 18.69% 和 12.71%。与纯药物相比,掺入的卡维地洛对肿瘤细胞和非肿瘤细胞的细胞毒性较低。卡维地洛的重新定位被证明是有利的,并鼓励进一步研究如何降低其对非肿瘤细胞的细胞毒性。这些研究可能会使更多的卡维地洛加入到药物载体中,或促使人们寻找一种新的药物纳米载体来优化卡维地洛的抗肿瘤活性。
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引用次数: 0
Synergistic effect of molybdenum dioxide wrapped nitrogen doped carbon nanotubes in binder-free anodes for enhanced lithium storage properties. 无粘结剂阳极中二氧化钼包裹掺氮碳纳米管的协同效应可增强锂存储性能。
IF 2.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1088/1361-6528/ad8c4c
Hui Zhang, Zhi Tan, Yuwei Xia, Chao Wang, Haili Pang, Xiaoxia Bai, Hao Liu, Ajit Khosla

Molybdenum dioxide (MoO2) is regarded as a potential anode for lithium-ion batteries due to its highly theoretical specific capacity. However, its further application in lithium-ion battery is largely limited by insufficient practical discharge capacity and cyclic performance. Here, MoO2nanoparticles are in-situ grown on three-dimensional nitrogen doped carbon nanotubes (NCNTs) on nickel foam substrate homogeneously using a simple electro-deposition method. The unique structural features are favorable for lithium ions insertion and extraction and charge transfer dynamics at electrode/electrolyte interface. As a proof of concept, the as-synthesized nanocomposites have been employed as anode for lithium-ion battery, exhibiting a reversible and significantly improved discharge capacity of ∼517 mA h g-1at the current density of 150 mA g-1as well as superior cycle and rate performance. The first-principle calculations based on density functional theory and electrochemical impedance spectroscopy results demonstrate a reduced energy barrier of lithium ions diffusion, improved lithium storage behavior, reduced structure collapse, and significantly enhanced charge transfer kinetics in MoO2/NCNTs nanocomposites with respect to MoO2powder. The excellent performance makes as-prepared MoO2/NCNTs nanocomposites promising binder-free anode for high performance lithium-ion batteries. This work also provides important theoretical insights for other state-of-the-art batteries design.

二氧化钼(MoO2)具有很高的理论比容量,因此被视为锂离子电池的潜在负极。然而,其在锂离子电池中的进一步应用在很大程度上受到实际放电容量和循环性能不足的限制。本文采用一种简单的电沉积方法,在泡沫镍基底上的三维掺氮碳纳米管(NCNTs)上原位均匀生长了二氧化锰纳米粒子。其独特的结构特征有利于锂离子在电极/电解质界面上的插入和萃取以及电荷转移动力学。作为概念验证,合成的纳米复合材料被用作锂离子电池的负极,在电流密度为 150 mA g-1 的条件下,放电容量达到了 517 mA h g-1,而且循环性能和速率性能均有显著提高。基于密度泛函理论的第一性原理计算和电化学阻抗谱结果表明,相对于 MoO2 粉体,MoO2/NCNTs 纳米复合材料降低了锂离子扩散的能量势垒,改善了锂存储行为,减少了结构塌陷,并显著增强了电荷转移动力学。优异的性能使制备的 MoO2/NCNTs 纳米复合材料有望成为高性能锂离子电池的无粘结剂负极。这项研究还为其他先进电池的设计提供了重要的理论依据。
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