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Interplay of superconductivity and magnetism in the Fe1+yTe1‐xSex iron‐based superconductor: A theoretical study 铁基超导体 Fe1+yTe1-xSex 中超导性与磁性的相互作用:理论研究
Pub Date : 2024-06-14 DOI: 10.1002/nano.202400038
Kefale Ayalew, Dagne Atnafu Shiferaw, Gedefaw Mebratie
The competition between superconductivity and magnetism has been studied for the ongoing investigation of mechanisms in unconventional superconductors. Fe1+yTe1−xSex is distinct among iron‐based superconductors due to its structural simplicity, comprising solely FeTe/Se layers that are favorable for probing the superconductivity mechanism. The main goal of this article is to focus on the computational investigation of the interplay of magnetism and superconductivity in the Fe1+yTe1−xSex multiband superconductor. From the electronic structure of the Fe1+yTe1−xSex superconductor, a two‐band Hamiltonian model was considered to examine the interplay of magnetism and superconductivity in the Fe1+yTe1‐xSex superconductor. Using Green's function formalism with the Hamiltonian model, the mathematical statements for the superconducting (Sc) gap parameter, spin density wave (SDW) ordering parameter, Sc and magnetic transitional temperatures have been obtained. Using these mathematical expressions, the phase diagram of transition temperatures versus the gap parameters for the Fe1+yTe1‐xSex superconductor has been plotted. The intersection region in the phase diagram of transition temperatures as a function of the SDW order parameter has been plotted to show the possible interplay of superconductivity and magnetism in a Fe1+yTe1‐xSex iron‐based superconductor.
超导性和磁性之间的竞争一直是研究非常规超导体机制的重点。在铁基超导体中,Fe1+yTe1-xSex 是与众不同的,因为它结构简单,只有 FeTe/Se 层,有利于探究超导机制。本文的主要目标是重点对 Fe1+yTe1-xSex 多带超导体中磁性和超导性的相互作用进行计算研究。从 Fe1+yTe1-xSex 超导体的电子结构出发,考虑了双带哈密顿模型来研究 Fe1+yTe1-xSex 超导体中磁性和超导性的相互作用。利用哈密顿模型的格林函数形式主义,得到了超导(Sc)间隙参数、自旋密度波(SDW)有序参数、Sc 和磁过渡温度的数学表达式。利用这些数学表达式,绘制出了 Fe1+yTe1-xSex 超导的过渡温度与间隙参数的相图。我们绘制了过渡温度与 SDW 有序参数函数相图中的交叉区域,以显示 Fe1+yTe1-xSex 铁基超导体中超导性与磁性之间可能存在的相互作用。
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引用次数: 0
Design and investigation of celastrol‐peptide nanoassemblies and their binding interactions with superoxide dismutase 1 and its mutants 设计和研究西司替醇-肽纳米组合及其与超氧化物歧化酶 1 及其突变体的结合相互作用
Pub Date : 2024-06-11 DOI: 10.1002/nano.202400042
Beatriz G. Goncalves, Chau Anh N. Phan, Mary A. Biggs, Hannah L. Hunt, I. Banerjee
The misfolding and aggregation of superoxide dismutase 1 (SOD1) and its mutants has been implicated in amyotrophic lateral sclerosis (ALS). In this study, we have created three peptide conjugates with the antioxidant pentacyclic terpene celastrol and examined their interactions with SOD1 and its mutants A4V and G93A. The peptides YYIVS, MPDAHL, and GSGGL are derived from natural sources and are known for their inherent antioxidant properties. Docking studies revealed that most conjugates showed strong binding with the metal binding and electrostatic loops as well as the β1, β5, and β6 hydrophobic core of SOD1. The conjugates were synthesized and self‐assembled into nanoassemblies. Surface plasmon resonance studies further confirmed the binding interactions of the nanoassemblies with the SOD1 proteins. The nanoassemblies were found to internalize into HEK293T cells. The HEK 293T cells were then transfected with GFP fused WT (Wild Type), A4V and G93A SOD1 mutants. Flow cytometry revealed that treatment with celastrol‐peptide nanoassemblies, affected the fluorescence of the SOD1 protein, implying their role in modulating SOD1, particularly for the mutants. N–Acetyl–Leu–Leu–Norleucinal (ALLN) induced SOD1 aggregation was also affected upon treatment with the nanoassemblies. These results suggest that the nanoassemblies may potentially modulate the activity and structure of SOD1.
超氧化物歧化酶 1(SOD1)及其突变体的错误折叠和聚集与肌萎缩性脊髓侧索硬化症(ALS)有关。在这项研究中,我们创建了三种与抗氧化剂五环萜烯芹甾醇的多肽共轭物,并研究了它们与 SOD1 及其突变体 A4V 和 G93A 的相互作用。肽YYIVS、MPDAHL和GSGGL来自天然来源,以其固有的抗氧化特性而闻名。对接研究表明,大多数共轭物都能与 SOD1 的金属结合环、静电环以及 β1、β5 和 β6 疏水核心紧密结合。这些共轭物被合成并自组装成纳米组合体。表面等离子共振研究进一步证实了纳米组合体与 SOD1 蛋白的结合相互作用。研究发现,纳米组合物能内化到 HEK293T 细胞中。然后用融合了 GFP 的 WT(野生型)、A4V 和 G93A SOD1 突变体转染 HEK 293T 细胞。流式细胞仪显示,用 celastrol 肽纳米组合处理后,SOD1 蛋白的荧光会受到影响,这表明它们在调节 SOD1(尤其是突变体)方面发挥了作用。用纳米组合物处理后,N-乙酰基-Leu-Leu-Norleucinal(ALLN)诱导的 SOD1 聚合也会受到影响。这些结果表明,纳米组合物有可能调节 SOD1 的活性和结构。
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引用次数: 0
Rhabdomyosarcoma targeting with tuned porous silicon nanoparticles 利用调谐多孔硅纳米粒子靶向横纹肌肉瘤
Pub Date : 2024-06-08 DOI: 10.1002/nano.202400004
Sofia Dominguez‐Gil, Rita Sala, V. J. Morel, Christophe Nguyen, K. Cheikh, A. Morère, Jean‐Olivier Durand, Jochen Rössler, Michele Bernasconi, Frédérique Cunin, M. Gary‐Bobo
We describe porous silicon nanoparticles (pSiNP) chemically functionalized with an analog of mannose 6‐phosphate (AMFA) and a porphyrin derivative to target aggressive pediatric Rhabdomyosarcoma (RMS) tumor cells. Our findings demonstrate that the pSiNP@AMFA@porphyrin nanosystems are efficiently internalized by RMS cells, which overexpress mannose 6‐phosphate receptors, and induce cytotoxicity and phototoxicity when exposed to two‐photon excitation light. These results provide an interesting potential for targeting and treating RMS pediatric tumors.
我们描述了多孔硅纳米颗粒(pSiNP)与 6-磷酸甘露糖类似物(AMFA)和卟啉衍生物的化学功能化,用于靶向侵袭性小儿横纹肌肉瘤(RMS)肿瘤细胞。我们的研究结果表明,pSiNP@AMFA@卟啉纳米系统能被过度表达6-磷酸甘露糖受体的RMS细胞有效内化,并在双光子激发光照射下诱导细胞毒性和光毒性。这些结果为靶向治疗 RMS 儿科肿瘤提供了有趣的潜力。
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引用次数: 0
Numerical simulation of a highly efficient perovskite solar cell based on FeSi2 photoactive layer 基于 FeSi2 光活性层的高效过氧化物太阳能电池的数值模拟
Pub Date : 2024-05-05 DOI: 10.1002/nano.202400020
George G. Njema, J. Kibet, Nicholas Rono, Edson L. Meyer
The primary aim of this work is to investigate the use iron di‐silicide (FeSi2) as a photoactive layer in order to achieve superior performance in the solar cell architecture—ITO/TiO2/FeSi2/CuSCN/Ni. The optimum thickness of the absorber layer was found to be 1000 nm, which gave optimal properties of the proposed cell—a short‐circuit current density (Jsc) of 51.41 mAm−2, an open‐circuit voltage (Voc) of 0.93 V, a fill factor (FF) of 77.99%, and power conversion efficiency (PCE) of 37.17%. The introduction of an ultrathin interfacial layer between the electron transport layer (ETL), the perovskite interface, and the hole transport layer (HTL) enhanced the electrical output of the proposed solar cell. The Jsc increased to 51.86 mAcm−2, Voc rose to 0.97 V, while FF and PCE increased to 82.86% and 41.84%, respectively. Accordingly, the proposed cell architecture is promising and can be introduced into the manufacturing workflow for commercial applications. Moreover, because of its exceptional photon absorption capabilities, FeSi2 is a potentially excellent photoactive material for solar cell fabrication. The detailed findings of this study have therefore indicated that high‐performance FeSi2‐based solar can be achieved in future.
这项工作的主要目的是研究如何使用二硅化铁(FeSi2)作为光活性层,以实现太阳能电池结构(ITO/TiO2/FeSi2/CuSCN/Ni)的卓越性能。研究发现,吸收层的最佳厚度为 1000 nm,这使得所提出的电池具有最佳性能--短路电流密度 (Jsc) 为 51.41 mAm-2,开路电压 (Voc) 为 0.93 V,填充因子 (FF) 为 77.99%,功率转换效率 (PCE) 为 37.17%。在电子传输层 (ETL)、过氧化物界面和空穴传输层 (HTL) 之间引入超薄界面层提高了所提太阳能电池的电输出。Jsc 增加到 51.86 mAcm-2,Voc 上升到 0.97 V,FF 和 PCE 分别增加到 82.86% 和 41.84%。因此,所提出的电池结构很有前景,可以引入生产工作流程,进行商业应用。此外,由于具有出色的光子吸收能力,FeSi2 有可能成为制造太阳能电池的优秀光活性材料。因此,本研究的详细结果表明,未来可以实现基于 FeSi2 的高性能太阳能。
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引用次数: 0
Role of vacancy defects and nanopumping on drug transport efficiency in boron nitride nanotubes 氮化硼纳米管中的空位缺陷和纳米泵浦对药物传输效率的作用
Pub Date : 2024-05-02 DOI: 10.1002/nano.202300175
H. Jami, Roozbeh Sabetvand, Gurvinder Singh
Boron nitride nanotubes (BNNTs) are promising nanomaterials for drug delivery due to their remarkable mechanical and electrical properties. BNNTs use nanopumping technique to transport drug molecules to target sites when subjected to an external force, such as an electric field or mechanical forces. Despite numerous efforts to investigate BNNTs/biomolecules interactions, the impact of atomic‐scale intrinsic characteristics of BNNT on drug delivery efficiency and delivery time is not well understood. To investigate this, we use molecular dynamics simulations (MD) to develop two simulation models: one with defective BNNT and another with a non‐defective (pristine) BNNT. Here, the fullerene molecule (C20) is introduced into BNNT and transported towards target cells. Our results show that vacancy defects can significantly impact the effectiveness of the nanopumping process. In pristine BNNTs, drug molecules move primarily by translation motion. However, the presence of vacancy defects and their concentration in BNNTs can affect the translation motion of drug molecules. We show that the judicious selection of oscillation frequency and amplitude of Cu tips is important to achieve efficient drug transport. This work provides new insights into the role of structural defects and oscillation on the drug transport efficiency of C20 molecules in BNNT using the nanopumping mechanism.
氮化硼纳米管(BNTs)具有显著的机械和电气特性,是一种很有前途的药物输送纳米材料。在电场或机械力等外力作用下,氮化硼纳米管利用纳米泵浦技术将药物分子输送到目标部位。尽管在研究 BNNT 与生物分子相互作用方面做了大量工作,但人们对 BNNT 的原子尺度内在特性对药物输送效率和输送时间的影响还不甚了解。为了研究这个问题,我们利用分子动力学模拟(MD)建立了两个模拟模型:一个是有缺陷的 BNNT,另一个是无缺陷(原始)的 BNNT。在这里,富勒烯分子(C20)被引入 BNNT 并向靶细胞运输。我们的研究结果表明,空位缺陷会严重影响纳米泵送过程的效果。在原始 BNNT 中,药物分子主要通过平移运动移动。然而,空位缺陷的存在及其在 BNNT 中的浓度会影响药物分子的平移运动。我们的研究表明,明智地选择铜尖端的振荡频率和振幅对于实现高效的药物传输非常重要。这项工作为利用纳米泵浦机制研究结构缺陷和振荡对 BNNT 中 C20 分子药物传输效率的作用提供了新的见解。
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引用次数: 0
Aqueous CuS nanocrystals via a flow synthesis approach 通过流动合成法获得水性 CuS 纳米晶体
Pub Date : 2024-05-01 DOI: 10.1002/nano.202400025
Helena Decker, Andre Wolf, Moritz Kemmler, Vladimir Lesnyak
Aqueous synthesis of covellite CuS nanoparticles holds significant importance in the field of nanomaterials and environmental sustainability. Using water as a solvent and reactant in the synthesis process aligns with green chemistry principles. It enhances nanoparticle production's scalability and safety. CuS nanoparticles have gained attention for their diverse applications in catalysis, energy storage, and environmental remediation. Aqueous synthesis reduces the environmental footprint associated with hazardous organic solvents, making it an eco‐friendly approach. We report on synthesis routes toward covellite CuS nanocrystals (NCs), emphasizing easy and fast synthesis techniques. Additionally, we develop a flow synthesis of small near infrared active CuS NCs in a custom‐made flow reactor. Combining the advantages of aqueous synthesis and flow chemistry yields a robust and sustainable method for producing covellite CuS NCs readily dispersible in water medium, paving the way for their widespread application in diverse fields.
在纳米材料和环境可持续发展领域,水合成沸石 CuS 纳米粒子具有重要意义。在合成过程中使用水作为溶剂和反应物符合绿色化学原则。它提高了纳米粒子生产的可扩展性和安全性。CuS 纳米粒子因其在催化、储能和环境修复方面的广泛应用而备受关注。水合成减少了与有害有机溶剂相关的环境足迹,是一种生态友好型方法。我们报告了沸石 CuS 纳米晶体(NCs)的合成路线,强调了简便快速的合成技术。此外,我们还在定制的流动反应器中开发了一种流动合成小型近红外活性 CuS NCs 的方法。结合水合成和流动化学的优势,我们开发出了一种稳健且可持续的方法,用于生产易于在水介质中分散的沸石 CuS NCs,为其在不同领域的广泛应用铺平了道路。
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引用次数: 0
Tetraspanin immunoassay for the detection of extracellular vesicles and renal cell carcinoma 用于检测细胞外囊泡和肾细胞癌的四蛋白免疫分析法
Pub Date : 2024-05-01 DOI: 10.1002/nano.202400018
Misba Khan, Md. Khirul Islam, Mafiur Rahman, Bert Dhondt, Ileana Quintero, M. Puhka, Panu M. Jaakkola, Urpo Lamminmäki, J. Leivo
Half of patients with renal cell carcinoma (RCC) develop metastases. New and noninvasive biomarkers are needed for the diagnosis of RCC. The study aims to develop an EV‐based assay for the detection of RCC using a highly sensitive nanoparticle‐aided time‐resolved fluorescence immunoassay (NP‐TRFIA). To confirm the presence of tetraspanins on EVs, size exclusion chromatography is used to separate EV‐ and PE‐fractions from RCC4, 786‐O, and HEK293 cell lines. EV‐ and PE‐fractions are quantified using NP‐TRFIA assays established for CD9, CD63, CD81, and CD151. Tetraspanins are measured from RCC CCM and serum samples of RCC (n = 14), benign (n = 17), and healthy (n = 9) individuals. Among the tetraspanins, CD63 exhibits 3‐5‐fold higher expression on RCC4 and 786‐O CCM compared to HEK293. A sandwich CD63‐CD63 assay demonstrates significant discrimination of RCC patients from benign (p = 0.0003), and healthy (p = 0.005) individuals, respectively. Similarly, the CD81‐CD81 assay also enables significant separation of RCC patients compared to benign (p = 0.014), and healthy (p = 0.003) controls, respectively. This suggests that RCC cell lines and serum of RCC patients show higher amounts of CD63‐ and CD81‐EVs compared to controls. Detection of these EVs using NP‐TRFIA approach may play a vital role in the detection of RCC.
半数肾细胞癌(RCC)患者会发生转移。诊断 RCC 需要新的非侵入性生物标志物。这项研究旨在利用高灵敏度纳米粒子辅助时间分辨荧光免疫分析法(NP-TRFIA)开发一种基于EV的RCC检测方法。为了确认 EV 上是否存在四泛素,研究人员使用尺寸排阻色谱法从 RCC4、786-O 和 HEK293 细胞系中分离出 EV 和 PE 产物。使用为 CD9、CD63、CD81 和 CD151 建立的 NP-TRFIA 检测方法对 EV 和 PE 分馏物进行量化。从 RCC CCM 和 RCC(14 人)、良性肿瘤(17 人)和健康人(9 人)的血清样本中检测四泛素。在四跨蛋白中,CD63 在 RCC4 和 786-O CCM 上的表达量是 HEK293 的 3-5 倍。夹心 CD63-CD63 检测显示,RCC 患者与良性(p = 0.0003)和健康(p = 0.005)个体之间的差异显著。同样,CD81-CD81 检测法也能将 RCC 患者与良性对照(p = 0.014)和健康对照(p = 0.003)明显区分开来。这表明,与对照组相比,RCC 细胞系和 RCC 患者血清中的 CD63- 和 CD81-EV 数量更高。使用 NP-TRFIA 方法检测这些 EVs 可能会在 RCC 的检测中发挥重要作用。
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引用次数: 0
Silver‐doped rutile TiO2 nanotubes synthesis. First insights into selective photo‐oxidation of benzyl alcohol derivatives under visible light 银掺杂金红石型二氧化钛纳米管的合成。对可见光下苯甲醇衍生物选择性光氧化的初步认识
Pub Date : 2024-04-14 DOI: 10.1002/nano.202400056
Oriane Delaunay, A. Denicourt‐Nowicki, A. Roucoux
The synergistic effect between rutile TiO2 nanotubes and silver nanoparticles on the surface was studied. For that purpose, rutile TiO2 nanotubes were elaborated by a hydrothermal method, doped with silver by a wetness impregnation approach and fully characterized. The as synthesized material showed an improved photocatalytic activity, compared with bare rutile nanotubes, which was correlated to the changes in the optical, structural, and textural properties associated with the variation of silver amount. The photocatalytic activity of the as‐prepared catalysts was evaluated into the oxidation of different benzyl alcohol derivatives under visible light.
研究了金红石型二氧化钛纳米管与银纳米粒子在表面的协同效应。为此,采用水热法制备了金红石型二氧化钛纳米管,并通过湿法浸渍法掺杂了银,对其进行了全面表征。与裸金红石纳米管相比,合成的材料显示出更高的光催化活性,这与银量变化引起的光学、结构和纹理特性的变化有关。通过在可见光下氧化不同的苯甲醇衍生物,对所制备催化剂的光催化活性进行了评估。
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引用次数: 0
Enhanced visible‐light‐driven photocatalytic application for water purification and hydrogen evolution by large‐sized nanofilm‐constructed hierarchical porous g‐C3N4/SiO2 大尺寸纳米薄膜构建的分层多孔 g-C3N4/SiO2 在可见光驱动下增强光催化在水净化和氢气进化中的应用
Pub Date : 2024-04-12 DOI: 10.1002/nano.202300098
Zhiyu Zhang, Fei Long, Yanhong Guo, Yunxiao Liang, Jing Wang, Y. Ren
The large‐sized nanofilm‐constructed hierarchical porous SiO2 (LNCHPS) is successfully prepared by the dual templating approach and subsequently used as the support for g‐C3N4. A series of characterization techniques are conducted to evaluate the structure and property of the as‐prepared materials. The LNCHPS possesses two sets of explicated successive pass‐through macropores (0.5–1.0 µm) with large specific surface area. In addition, the macropore wall is constructed by uniform mesoporous nanofilms with the thickness ranging from 35 to 50 nm. Then, the photocatalytic property is investigated by degradations towards Rhodamine B (RhB) under simulated sunlight, in which experiments have been performed through controlling the g‐C3N4 loading contents, solution pH values, and photocatalyst dosages. The apparent rate constant of g‐C3N4/LNCHPS could reach 0.03 min−1 under optimum conditions, showing 6.0 times that of the bulk g‐C3N4. In addition, g‐C3N4/LNCHPS also exhibits significantly enhanced performance in H2 evolution (39.9 µmol h−1) compared to that of the bulk g‐C3N4. High light absorption and utilization, enhanced adsorption capability and quick electron hole separation can render this fine structure excellent photocatalytic performance. Our work enables a facile route for large‐scale preparation of g‐C3N4/LNCHPS for addressing the wastewater treatment and hydrogen energy production simultaneously.
采用双模板法成功制备了大尺寸纳米薄膜结构的分层多孔二氧化硅(LNCHPS),并将其用作 g-C3N4 的支撑材料。研究人员采用一系列表征技术对制备材料的结构和性能进行了评估。LNCHPS 具有两组大比表面积的连续通透大孔(0.5-1.0 微米)。此外,大孔壁由厚度为 35 至 50 纳米的均匀介孔纳米薄膜构成。然后,通过控制 g-C3N4 的负载量、溶液 pH 值和光催化剂用量,研究了在模拟阳光下降解罗丹明 B(RhB)的光催化性能。在最佳条件下,g-C3N4/LNCHPS 的表观速率常数可达 0.03 min-1,是块状 g-C3N4 的 6.0 倍。此外,与块状 g-C3N4 相比,g-CN4/LNCHPS 的 H2 演化性能(39.9 µmol h-1)也显著提高。高光吸收率和利用率、增强的吸附能力和快速的电子空穴分离使这种精细结构具有优异的光催化性能。我们的工作为大规模制备 g-C3N4/LNCHPS 提供了一条简便的途径,可同时解决废水处理和氢能生产问题。
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引用次数: 0
Chemical, synthesis, characterization and electrochemical properties of α‐Fe2O3/ZnO composite nano‐heterojunction for sensing application 用于传感应用的 α-Fe2O3/ZnO 复合纳米异质结的化学、合成、表征和电化学特性
Pub Date : 2024-03-30 DOI: 10.1002/nano.202300155
Sreymean Ngok, N. Razmi, E. Mustafa, Xianjie Liu, C. Chey, Magnus Willander, O. Nur
Low temperature hydrothermal methods have been utilized to synthesize Hematite/Zinc oxide α‐Fe2O3/ZnO composite nano‐heterojunction nanorods grown on FTO glass substrates while monitoring the effect of different concentrations of urea on the morphology of the composite nano‐heterojunction. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) techniques were used for the structural characterization of the α‐Fe2O3/ZnO different samples. UV‐visible spectroscopy was used for the characteristic absorbance versus wavelength of α‐Fe2O3/ZnO composite nano‐heterojunction which shows an absorption edge from 400 to 560 nm. X‐ray photoelectron spectroscopy (XPS) technique was applied to study of chemical composition of the α‐Fe2O3/ZnO and the obtained information demonstrated a pure phase α‐Fe2O3/ZnO has been achieved. The best efficiency among urea concentrations for the best composite nano‐heterojunction sample was achieved when using 0.2 M of urea. The electrochemical properties of the composite nano‐heterojunction were investigated using a three‐electrode electrochemical cell. Estimation of the electrochemical area shows that both the composite nano‐heterojunction and the bare α‐Fe2O3 have similar values. This confirms that the enhanced electrochemical property of the composite nano‐heterojunction is due to a synergetic effect as expected.
利用低温水热法合成了生长在 FTO 玻璃基底上的赤铁矿/氧化锌 α-Fe2O3/ZnO 复合纳米异质结纳米棒,同时监测了不同浓度的尿素对复合纳米异质结形态的影响。X 射线衍射(XRD)和扫描电子显微镜(SEM)技术用于表征 α-Fe2O3/ZnO 不同样品的结构。紫外-可见光谱法用于分析 α-Fe2O3/ZnO 复合纳米异质结的吸光度与波长的关系,其吸收边缘在 400 至 560 纳米之间。利用 X 射线光电子能谱(XPS)技术研究了 α-Fe2O3/ZnO 的化学成分,所获得的信息表明,α-Fe2O3/ZnO 已形成纯相。最佳复合纳米异质结样品的最佳尿素浓度为 0.2 M。使用三电极电化学电池研究了复合纳米异质结的电化学特性。对电化学面积的估算表明,复合纳米异质结和裸 α-Fe2O3 的电化学面积值相似。这证实了复合纳米异质结电化学性能的增强是由于预期的协同效应。
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引用次数: 0
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