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Synthesis and Characterization of PS/PVP Polymer Blend Composites with Different Nanofillers for Production of Green Hydrogen 不同纳米填料PS/PVP聚合物共混复合材料的合成与表征
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-08 DOI: 10.1007/s11664-024-11563-2
Vaishali Suthar, Harsh D. Patel, Anwesh Patel, Naveen K. Acharya, C. N. Murthy

This paper reports a study of composite blends of polysulfone (PS) and polyvinylpyrrolidone (PVP) that were prepared in different wt% composition using carbon nanotubes (CNT), milled carbon fibers (MCF), graphene oxide (GO), and chopped carbon fibers (CCF) as nanofillers. The permeability measurements of the composites showed that the PS/PVP blends with different nanofillers demonstrated higher permeability for hydrogen gas than that of the pristine polymers, either singly or the polymer blend. The gases used for the permeation measurements were H2, CO2, N2, O2, and CH4. Selectivity was calculated for H2/CO2, H2/N2, and H2/CH4 gas pairs. The results of the selectivity were plotted to show Robeson's 2008 upper bound and compared with reported data. The permeability of all gases increased for modified composite polymer membranes. We noted that O2 gas solubility follows a trend similar to other gases, but gives a higher value than H2 gas. The selectivity measurements showed that the MCF and CCF composite with the PS/PVP blend membranes demonstrated the highest selectivity for hydrogen gas among all different gas pairs. This indicates that PS/PVP composite membranes with MCF and CCF can be used for hydrogen purification and production of green hydrogen. There is a trade-off between permeability and selectivity parameters; GO and CNT nanofillers showed constant selectivity as permeability increased, which can be explained by the nanogap theory. The structural and morphological properties of these prepared composite membranes were characterized by field-emission scanning electron microscopy (FE-SEM), thermal properties by differential scanning calorimetry (DSC), and mechanical properties using a universal testing machine (UTM) for tensile strength, and Fourier transform infrared (FTIR) spectroscopy was carried out to identify the possible bond between polymers and nanofillers of the blend composite membranes. Blends modified with CNT, MCF, and GO exhibited increased viscosity, with an increase in the ∆b value at increasing concentrations, suggesting a favorable interaction between the phases. The water flux studies indicated that the highest pure water flux was obtained by the PS + PVP + CCF membrane. The highest rejection of Na2SO4 and of MgSO4 was for the PS + PVP + CNT membrane.

本文报告了以碳纳米管 (CNT)、研磨碳纤维 (MCF)、氧化石墨烯 (GO) 和切碎碳纤维 (CCF) 为纳米填料制备的不同重量百分比的聚砜 (PS) 和聚乙烯吡咯烷酮 (PVP) 复合混合物的研究。复合材料的渗透性测量结果表明,含有不同纳米填料的 PS/PVP 共混物对氢气的渗透性高于原始聚合物(无论是单一聚合物还是聚合物共混物)。用于测量渗透性的气体有 H2、CO2、N2、O2 和 CH4。计算了 H2/CO2、H2/N2 和 H2/CH4 气体对的选择性。选择性结果绘制成图,以显示罗伯逊 2008 年的上限,并与报告数据进行比较。改性复合聚合物膜对所有气体的渗透性都有所增加。我们注意到,O2 气体溶解度的变化趋势与其他气体相似,但数值高于 H2 气体。选择性测量结果表明,在所有不同气体对中,MCF 和 CCF 复合膜与 PS/PVP 混合膜对氢气的选择性最高。这表明,含有 MCF 和 CCF 的 PS/PVP 复合膜可用于氢气提纯和生产绿色氢气。渗透性和选择性参数之间存在权衡;随着渗透性的增加,GO 和 CNT 纳米填料显示出恒定的选择性,这可以用纳米间隙理论来解释。利用场发射扫描电子显微镜(FE-SEM)对这些制备的复合膜的结构和形态特性进行了表征,利用差示扫描量热仪(DSC)对其热特性进行了表征,利用万能试验机(UTM)对其拉伸强度进行了机械特性表征,并利用傅立叶变换红外光谱(FTIR)对混合复合膜的聚合物和纳米填料之间可能存在的结合进行了鉴定。用 CNT、MCF 和 GO 改性的混合物粘度增加,浓度越高,∆b 值越大,这表明各相之间存在有利的相互作用。水通量研究表明,PS + PVP + CCF 膜获得的纯水通量最高。PS + PVP + CNT 膜对 Na2SO4 和 MgSO4 的排斥率最高。
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引用次数: 0
Enhanced Mobility in MoS2 Thin Film Transistors Through Kr Ion Beam-Generated Surface Defects 通过 Kr 离子束产生的表面缺陷增强 MoS2 薄膜晶体管的迁移率
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-07 DOI: 10.1007/s11664-024-11533-8
Deepika Gupta, Sonica Upadhyay, Abhimanyu Singh Rana, Satyendra Kumar,  Deepika, Aniket Bharti, Vivek Kumar Malik, Sanjay Kumar Sharma, Manoj Kumar Khanna, Rajesh Kumar

Molybdenum disulfide (MoS2) has been found to be a promising material for electronic and optoelectronic device applications due to its unique optical and electrical characteristics. However, the large-scale synthesis of MoS2 thin films is limited by challenges in achieving reproducible and uniform device fabrication. In the present study, we utilized a sputtering technique and post-treatment by ion beam irradiation for large-scale fabrication of uniform MoS2 thin films. The effects of the low-energy ion beam on the optical, structural, electrical transport, and morphological characteristics of the MoS2 thin films were studied by Raman spectroscopy, atomic force microscopy (AFM), x-ray photoelectron spectroscopy (XPS), photoluminescence (PL) spectroscopy, and electrical transport analysis. Tuning the electrical and optical characteristics of few- and monolayer MoS2 through regulation of defects provides an excellent approach for fabricating two-dimensional (2D) MoS2 thin films for electronic device applications. Thin film transistors (TFTs) have been widely studied for driving active-matrix displays given their promising electrical characteristics including significant on/off current ratio and mobility. In the present work, we report a back-gate MoS2 TFT fabricated by sputtering. TFTs based on MoS2 thin films were fabricated, and the current–voltage characteristics were studied at room temperature, which confirmed that the transport behavior differed between the pristine and ion-irradiated samples. Pristine MoS2-based TFTs displayed significant Schottky barrier effects, resulting in lower mobility than ion-irradiated samples. Our comprehensive study focuses on the fundamental transport characteristics via the metal–MoS2interface, which represents a substantial step towards achieving highly efficient electronic devices based on 2D semiconductors.

二硫化钼(MoS2)由于其独特的光学和电学特性,已被发现是一种很有前途的电子和光电子器件材料。然而,MoS2薄膜的大规模合成受到实现可重复性和均匀器件制造的挑战的限制。在本研究中,我们利用溅射技术和离子束辐照后处理大规模制备了均匀的二硫化钼薄膜。利用拉曼光谱、原子力显微镜(AFM)、x射线光电子能谱(XPS)、光致发光(PL)光谱和电输运分析研究了低能离子束对MoS2薄膜光学、结构、电输运和形貌的影响。通过调节缺陷来调整多层和单层MoS2的电学和光学特性,为制造用于电子器件应用的二维(2D) MoS2薄膜提供了一种极好的方法。薄膜晶体管(TFTs)具有良好的电学特性,包括显著的通/关电流比和迁移率,因此被广泛研究用于驱动有源矩阵显示器。在本工作中,我们报道了一种用溅射法制备的MoS2背极TFT。制备了基于MoS2薄膜的tft,并在室温下研究了其电流-电压特性,证实了原始样品和离子辐照样品的输运行为存在差异。原始的mos2基tft表现出明显的肖特基势垒效应,导致迁移率低于离子辐照样品。我们的综合研究重点是通过金属- mos2界面的基本输运特性,这代表了实现基于二维半导体的高效电子器件的重要一步。
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引用次数: 0
On-Current Improvement in Bulk-Accumulated Double-Gate ZnO TFT 提高块状累积双栅氧化锌 TFT 的导通电流
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-07 DOI: 10.1007/s11664-024-11569-w
Saurabh Jaiswal, Divya Dubey, Shilpi Singh, Rupam Goswami, Manish Goswami, Kavindra Kandpal

Channel thickness is a key parameter in determining the electrical characteristics of double-gate ZnO thin film transistors (DGTFTs). In thicker channels, the accumulation region is confined to the ZnO/SiO2 (semiconductor/gate dielectric) interface. However, in such devices with ultrathin channels, the accumulation region extends the entire depth of the channel. This work investigates the impact of channel thickness on the electrical characteristics of a double-gate ZnO TFT in the grounded top gate (GTG) and common mode gate (CMG) biasing modes. Gaussian distributed traps are assumed to be present at the ZnO/SiO2 interface with a peak concentration of 1012 cm−2 eV−1 to accurately represent the interface. From technology computer-aided design simulations, it is concluded that in CMG mode, a bulk-accumulated 5-nm-thick DGTFT shows a 15- fold improvement in ON current as compared to its GTG counterpart. However, a 500-nm-thick DGTFT CMG mode shows merely twofold improvement in ON current compared to GTG mode.

沟道厚度是决定双栅氧化锌薄膜晶体管(DGTFT)电气特性的关键参数。在较厚的沟道中,积聚区仅限于 ZnO/SiO2(半导体/栅极电介质)界面。然而,在这种具有超薄沟道的器件中,累积区延伸至整个沟道深度。这项研究探讨了在接地顶栅(GTG)和共模栅(CMG)偏压模式下,沟道厚度对双栅氧化锌 TFT 电特性的影响。假定 ZnO/SiO2 界面存在高斯分布陷阱,峰值浓度为 1012 cm-2 eV-1,以准确表示该界面。通过技术计算机辅助设计模拟得出的结论是,在 CMG 模式下,5 纳米厚的批量累积 DGTFT 的导通电流比 GTG 对应器件提高了 15 倍。然而,与 GTG 模式相比,500 纳米厚的 DGTFT CMG 模式的导通电流仅提高了 2 倍。
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引用次数: 0
Improving ZnO Thin Film with CuO Nanorods to Enhance the Application in Lower-Work-Temperature Carbon Monoxide Gas Sensing 用氧化铜纳米棒改进ZnO薄膜以增强在低工作温度一氧化碳气体传感中的应用
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-07 DOI: 10.1007/s11664-024-11564-1
Yen-Sheng Lin, Yi-Zhe Zhang

In this study, radio frequency (RF) magnetron sputtering was used to deposit ZnO nanofilms and CuO nanorods. Firstly, the sputtering power was adjusted to study the structural porosity changes of ZnO. The oxygen flux and etching power were then adjusted to roughen the surface of the films to induce the optimal distribution of the CuO nanorods on the surface to increase its surface area for gas reaction. The ZnO film packaging process for gas sensing was also completed, mainly by a self-designed gas sensing circuit, at a lower work temperature of 100°C, to conduct sensitivity and response value analysis of CO gas sensing. In addition, X-ray diffraction (XRD) and field-emission scanning electron microscopy (FESEM) were used to analyze the crystallinity and morphology of ZnO, and high-resolution transmission electron microscopy (HRTEM) was used to analyze the interface microstructure of the ZnO/CuO nanorods. The absorbance of ZnO was measured by UV–Vis spectroscopy to indirectly verify the porosity. The results show that after depositing the ZnO film at 200 W, followed by roughening the surface with oxygen flux of 15 sccm and 100 W etching power for 10 min and then depositing the CuO nanorods for 10 s, the completed thin film structure had better CO sensing characteristics, and the highest response value was enhanced about 5% from 0.983 to 1.031. By optimizing the process parameters and incorporating the CuO nanorods, the sensing characteristics of the ZnO thin film were improved and a lower work temperature of 100°C for CO gas reaction was possible.

本研究采用射频磁控溅射技术制备ZnO纳米膜和CuO纳米棒。首先,调整溅射功率,研究ZnO的结构孔隙度变化。然后调整氧通量和蚀刻功率,使膜表面变得粗糙,以诱导CuO纳米棒在表面的最佳分布,以增加其气体反应的表面积。在较低的100℃工作温度下,主要通过自行设计的气敏电路完成气敏氧化锌薄膜封装工艺,对CO气敏进行灵敏度和响应值分析。此外,采用x射线衍射(XRD)和场发射扫描电镜(FESEM)分析ZnO的结晶度和形貌,采用高分辨率透射电镜(HRTEM)分析ZnO/CuO纳米棒的界面微观结构。用紫外可见光谱法测定了ZnO的吸光度,间接验证了孔隙度。结果表明,在200 W下沉积ZnO薄膜,然后以15 sccm的氧通量和100 W的刻蚀功率对表面进行10 min的粗化处理,再沉积10 s的CuO纳米棒,完成的薄膜结构具有较好的CO感测特性,最高响应值从0.983提高到1.031,提高了约5%。通过优化工艺参数和加入CuO纳米棒,提高了ZnO薄膜的传感特性,并使CO气体反应的工作温度降低到100℃。
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引用次数: 0
Investigation of the Combination of Indoline and Naphthalimide in the Preparation of Photosensitizers for Photovoltaic Devices 吲哚啉与萘酰亚胺复合制备光伏器件光敏剂的研究
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-04 DOI: 10.1007/s11664-024-11538-3
Mozhgan Hosseinnezhad, Sohrab Nasiri, Venkatramaiah Nutalapati, Kamaladin Gharanjig, Amirmasoud Arabi

Four dyes with substitutions of carbazole and phenothiazine in position C4 of naphthalimide were designed in conjugation as a donor–acceptor architecture (D–A). The absorption and emission characteristics of the prepared dyes were investigated in H2O, dimethylformamide (DMF), and their mixture (DMF:H2O = 1:1). The prepared dyes exhibited a pink and yellow color, with strong emission at λem = 526–590 nm due to charge transfer, with a positive solvatochromic effect. The feasibility of electron transfer in the dye-sensitized solar cell (DSSC) structure and energy levels were evaluated using electrochemical and density functional theory (DFT), which confirmed the use of dyes in the DSSC structure. The DSSCs were prepared using an individual strategy, and their optical properties were investigated under light of AM 1.5. The DSSCs based on dyes 1–4 achieved efficiency of 4.37%, 4.59%, 4.11%, and 4.27%, respectively. Therefore, the power efficiency increased by about 39% in the presence of the phenothiazine group.

Graphical Abstract

我们设计了四种在萘二甲酰亚胺的 C4 位上取代了咔唑和吩噻嗪的染料,并将其共轭为供体-受体结构(D-A)。研究了所制备染料在 H2O、二甲基甲酰胺(DMF)和它们的混合物(DMF:H2O = 1:1)中的吸收和发射特性。所制备的染料呈现粉红色和黄色,在 λem = 526-590 nm 处由于电荷转移而发出强烈的光,具有正溶解变色效应。利用电化学和密度泛函理论(DFT)评估了染料敏化太阳能电池(DSSC)结构和能级中电子转移的可行性,证实了在 DSSC 结构中使用染料。采用单独策略制备了 DSSC,并研究了它们在 AM 1.5 光照下的光学特性。基于染料 1-4 的 DSSC 的效率分别为 4.37%、4.59%、4.11% 和 4.27%。因此,在存在吩噻嗪基团的情况下,功率效率提高了约 39%。
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引用次数: 0
Exploring Electrolyte-Induced Phenomena in Graphene Nanoplatelet-Based Electrodes 石墨烯纳米薄片电极中电解质诱导现象的研究
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-04 DOI: 10.1007/s11664-024-11359-4
Muhammad Oneeb, Javed Iqbal, Asifa Mumtaz, Muhammad Ameen, Marhaba Noor, Hamza Nawaz, Haider Ali, M. Usama Jansher

Graphene has a large surface area, an open interconnect structure, and superior electrical conductivity, making it a promising material for high-performance supercapacitors. The appropriate choice of aqueous electrolyte is essential for its application as an electrode in a supercapacitor. The present study explores the supercapacitive behavior of graphene nanoplatelets in aqueous electrolytes that are acidic (H2SO4), alkaline (NaOH), and neutral (Na2SO4). Among these, H2SO4 delivers the maximum capacitance of 292 F/g, followed by NaOH and Na2SO4, with specific capacitance of 276 F g−1 and 240 F g−1, respectively, from cyclic charge–discharge at a current density of 0.3 A g-1. Additionally, this electrode has maximum energy density and power density of 28 Wh kg−1 and 270 W kg−1, and it retains 90% of its capacity over 5000 cycles in H2SO4 electrolytes. An in-depth examination of supercapacitance is provided, along with an equivalent circuit simulation to deduce the behavior of the electrode–electrolyte interface.

石墨烯具有较大的表面积,开放的互连结构和优异的导电性,使其成为高性能超级电容器的理想材料。水电解质的适当选择对于其作为超级电容器电极的应用至关重要。本研究探讨了石墨烯纳米片在酸性(H2SO4)、碱性(NaOH)和中性(Na2SO4)水溶液中的超电容行为。其中,在0.3 a g-1的电流密度下,H2SO4的电容最大,为292 F/g,其次是NaOH和Na2SO4,比电容分别为276 F g−1和240 F g−1。此外,该电极的最大能量密度和功率密度分别为28 Wh kg - 1和270 W kg - 1,在H2SO4电解质中循环5000次后仍能保持90%的容量。提供了对超级电容的深入检查,以及等效电路模拟,以推断电极-电解质界面的行为。
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引用次数: 0
Study of Dosimetric properties of LiB3O5:Ag using the OSL/TA-OSL method for Medical Radiation Application 医用辐射应用中LiB3O5:Ag剂量学特性的OSL/TA-OSL方法研究
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-02 DOI: 10.1007/s11664-024-11544-5
Sahil, Gopishankar Natanasabapathi, Sourab Shyleshan, Rajesh Kumar, Mukesh Kumar Yadav, Aruna Kaushik, Pratik Kumar

Due to numerous characteristics (chemical stability, optical transparency, etc.), tissue equivalency, and other factors, lithium borates are an appropriate material for radiation dosimetry. This work explores the optical stimulated luminescence (OSL) dosimetry of lithium triborate (LiB3O5) doped with Ag. Here, we have used thermally-assisted OSL (TA-OSL), where OSL is recorded following thermal stimulation of the sample, to assess the presence of primary dosimetric and deep defects. The optimized elevated temperature for LiB3O5:Ag was found to be 100°C corresponding to maximum TA-OSL intensity due to depletion of its filled traps (indicating deep defects). X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive x-ray spectroscopy (EDS), and ultraviolet–visible (UV-Vis) spectrophotometry were all used to characterized the structural and chemical properties of the sample. Along with other OSL characteristics like fading and repeatability, response of the obtained nanophosphor under CW-OSL with x-ray photons and electrons of a range of energies including cobalt-60 in radiotherapy has also been examined.

由于许多特性(化学稳定性、光学透明性等)、组织等效性和其他因素,硼酸锂是一种适合辐射剂量测定的材料。本文研究了银掺杂三硼酸锂(LiB3O5)的光激发发光(OSL)剂量学。在这里,我们使用热辅助OSL (TA-OSL),在样品热刺激后记录OSL,以评估初级剂量学和深度缺陷的存在。发现LiB3O5:Ag的最佳升温温度为100℃,对应于TA-OSL的最大强度,这是由于其填充的陷阱耗尽(表明深层缺陷)。采用x射线衍射(XRD)、透射电子显微镜(TEM)、x射线能谱(EDS)、紫外-可见(UV-Vis)分光光度法对样品的结构和化学性质进行了表征。除了衰减和可重复性等OSL特性外,还研究了所获得的纳米荧光粉在cd -OSL下对包括钴-60在内的一系列能量的x射线光子和电子的响应。
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引用次数: 0
Physical and Optical Properties of Tellurium Dioxide-Based Quaternary Glasses: Potential for Nonlinear Optical Applications 基于二氧化碲的四元玻璃的物理和光学性质:非线性光学应用的潜力
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-01 DOI: 10.1007/s11664-024-11566-z
Komal Poria, Rajesh Parmar, Harita Kumari, Sunil Dhankhar, R. S. Kundu

An exploration was undertaken to examine the physical and optical traits of a quaternary glass system utilizing tellurium dioxide as its primary component. The glasses were prepared with 60TeO2-15B2O3-(25−x)Bi2O3-xSrCl2 molar composition, where x = 5 mol.%, 10 mol.%, 15 mol.%, and 20 mol.%. The utilization of x-ray diffraction interpretation verified the amorphous nature of the glasses. Several physical properties were measured, including density (ρ), molar volume (Vm), and oxygen packing density (OPD). It was observed that the density decreased (from 5.301 g/cm3 to 3.542 g/cm3) as the heavier molar mass of bismuth(III) oxide was replaced with the lighter molar mass of strontium chloride. Consequently, the glass matrix became less dense. The molar volume increased (from 40.129 cm3/mol to 51.612 cm3/mol) with higher strontium chloride content. Adding strontium chloride decreased the OPD (from 56.069 to 34.875), reducing the number of oxygen atoms in the glass sample. The optical properties were analyzed via the ultraviolet absorption spectrum. The cutoff wavelength (λc) decreased (from 442 nm to 359 nm) as the strontium chloride content increased. With increased strontium chloride content, the prepared glasses showed indirect transitions in their energy band gaps. Additionally, the values of the indirect band gap energy (Eopt) increased from 2.02 eV to 2.95 eV. The Urbach energy (ΔE), which characterizes the disorder in the glass structure, decreased (from 0.288 eV to 0.270 eV) with increasing strontium chloride concentration, indicating a lower defect concentration. The molar refractivity values ranged from 26.82 to 31.79, reflecting the polarizability of the constituent ions. The glasses demonstrated a metallization criterion within the range of 0.332 to 0.384, indicating their promise for applications in the area of nonlinear optical devices.

Graphical Abstract

Spectra of optical absorption for the TBSr glasses.

研究了以二氧化碲为主要成分的四元玻璃系统的物理和光学特性。用60TeO2-15B2O3-(25−x)Bi2O3-xSrCl2的摩尔组成制备玻璃,其中x = 5mol %, 10mol %, 15mol %和20mol %。利用x射线衍射解释证实了玻璃的无定形性质。测量了几种物理性质,包括密度(ρ),摩尔体积(Vm)和氧堆积密度(OPD)。当较重的摩尔质量的氧化铋(III)被较轻的摩尔质量的氯化锶所取代时,其密度从5.301 g/cm3下降到3.542 g/cm3。因此,玻璃基体的密度降低了。随着氯化锶含量的增加,摩尔体积从40.129 cm3/mol增加到51.612 cm3/mol。氯化锶的加入降低了OPD(从56.069降至34.875),减少了玻璃样品中的氧原子数。通过紫外吸收光谱分析了其光学性能。随着氯化锶含量的增加,截止波长(λc)从442 nm减小到359 nm。随着氯化锶含量的增加,所制备的玻璃的能带隙发生间接跃迁。间接带隙能(Eopt)由2.02 eV增加到2.95 eV。表征玻璃结构无序性的Urbach能量(ΔE)随着氯化锶浓度的增加而降低(从0.288 eV降至0.270 eV),表明缺陷浓度较低。摩尔折射率值在26.82 ~ 31.79之间,反映了组成离子的极化率。该玻璃的金属化判据在0.332 ~ 0.384之间,预示着其在非线性光学器件领域的应用前景。图解:TBSr玻璃的光吸收光谱。
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引用次数: 0
Tailoring the Electrochemical Properties of ZnS Electrodes via Cobalt Doping for Improved Supercapacitor Application 通过钴掺杂调整ZnS电极的电化学性能以改进超级电容器的应用
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-01 DOI: 10.1007/s11664-024-11535-6
Emmanuel Tom, Abhijai Velluva, Anit Joseph, Tiju Thomas, Mizaj Shabil Sha, P. V Jithin, Deepu Thomas, Kishor Kumar Sadasivuni, Joji Kurian

For practical uses, there has been a lot of interest in simple, inexpensive, and efficient synthesis of materials for supercapacitor applications. Pure and cobalt-doped zinc sulfide (Co-doped ZnS) powder samples were synthesized in this study using a straightforward co-precipitation process, and their electrochemical performance was examined. It was observed that, at a scan rate of 10 mV s−1, pure ZnS has a specific capacitance of only 460.7 F g−1; however, the Co-doping in ZnS increases it to 947.8 F g−1 for the 5% Co-doped sample, Co (0.05): ZnS. The results suggest that Co-doping in ZnS increases the kinetics and rate of redox processes. The increase in electrochemical active sites brought about by integrating Co into ZnS increases the surface area and results in the sample's capacity for storage. The encouraging findings increase the likelihood of elemental doping with other transition metal elements to increase the energy storage capability of earth-abundant ZnS samples.

在实际应用中,人们对简单、廉价、高效的超级电容器应用材料合成产生了浓厚的兴趣。本研究采用简单的共沉淀工艺合成了纯硫化锌和掺钴硫化锌(Co-doped ZnS)粉末样品,并考察了它们的电化学性能。结果表明,在 10 mV s-1 的扫描速率下,纯 ZnS 的比电容仅为 460.7 F g-1;然而,对于 Co (0.05) 掺杂 5% 的 ZnS 样品,Co 掺杂使其比电容增至 947.8 F g-1:ZnS。结果表明,在 ZnS 中掺入 Co 会提高氧化还原过程的动力学和速率。在 ZnS 中掺入 Co 增加了电化学活性位点,从而增大了表面积,提高了样品的储存能力。这些令人鼓舞的发现增加了掺入其他过渡金属元素的可能性,从而提高了富土 ZnS 样品的能量存储能力。
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引用次数: 0
Insights into the Effects of Co-doping on the Electronic Properties of Armchair Graphene Nanoribbon-based NO2 Gas Sensors 共掺杂对扶手椅石墨烯纳米带NO2气体传感器电子性能影响的研究
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1007/s11664-024-11539-2
Kamal Solanki, Prachi Kesharwani, Manoj Kumar Majumder

Nitrogen dioxide (NO2) emissions from numerous sources pose a significant threat to health, necessitating the development of highly sensitive electronic sensors. In response to this issue, this study investigates the influence of NO2 molecules on a hydrogen (H)-passivated doped/undoped armchair graphene nanoribbon (ArGNR). The electronic properties are examined using density functional theory (DFT) within the framework of a linear combination of atomic orbitals (LCAO) calculator, combined with the nonequilibrium Green’s function (NEGF). The modeling focuses on the impact of doping with manganese (Mn) and co-doping of Mn with group V elements [nitrogen (N), phosphorus (P), and arsenic (As) atoms] on the electronic properties of the ArGNR. The introduction of the Mn element introduces spin–polarization that can influence the adsorption behavior of the target molecule, enhancing the sensitivity and selectivity of ArGNR. Moreover, the results show that the co-doping in ArGNR significantly enhances the bandgap opening compared to individual doping, resulting in improved sensitivity towards the NO2 molecules. Subsequently, compared to Mn-P- and Mn-As-co-doped ArGNR, the Mn-N-co-doped ArGNR exhibits binding energy (EB) of 308.47 eV, high chemisorption of −2.92 eV, desorption of 39.69%, notable variations in bandgap (EG) of 16.5%, and a large current variation by a factor of 2.64 times following NO2 adsorption, indicating improved conductivity. These findings highlight the potential of the Mn-N-co-doped ArGNR as a leading material for NO2 sensing.

Graphical Abstract

来自众多排放源的二氧化氮(NO2)对健康构成了严重威胁,因此有必要开发高灵敏度的电子传感器。针对这一问题,本研究调查了二氧化氮分子对掺杂/未掺杂氢(H)钝化臂章石墨烯纳米带(ArGNR)的影响。在原子轨道线性组合(LCAO)计算器的框架内,结合非平衡格林函数(NEGF),使用密度泛函理论(DFT)对电子特性进行了研究。建模的重点是掺杂锰(Mn)和锰与第 V 族元素(氮原子、磷原子和砷(As)原子)共掺杂对 ArGNR 电子特性的影响。锰元素的引入会带来自旋极化,从而影响目标分子的吸附行为,提高 ArGNR 的灵敏度和选择性。此外,研究结果表明,与单独掺杂相比,ArGNR 中的共掺杂能显著提高带隙开度,从而提高对 NO2 分子的灵敏度。随后,与 Mn-P 和 Mn-As 共掺杂 ArGNR 相比,Mn-N 共掺杂 ArGNR 的结合能(EB)为 308.47 eV,化学吸附率高达 -2.92 eV,解吸率为 39.69%,带隙(EG)变化明显,为 16.5%,吸附 NO2 后的电流变化大,为原来的 2.64 倍,这表明导电性得到了改善。这些发现凸显了掺杂 Mn-N 的 ArGNR 作为二氧化氮传感主要材料的潜力。
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Journal of Electronic Materials
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