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Theoretical Investigations of Lattice Dynamics and Dynamical Elastic Constants of Rh0.6Pd0.4 and Rh0.2Pd0.8 Binary Alloys Using Transition Metal Pseudopotential 基于过渡金属赝势的Rh0.6Pd0.4和Rh0.2Pd0.8二元合金晶格动力学和动态弹性常数的理论研究
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(2).02021
Nupur P. Vora, Priyank V. Kumar, S. Vyas, N. K. Bhatt, P. R. Vyas, V. Gohel
The experimental and theoretical studies of various properties of transition metals alloys are important in the material science research. Inspired by such fact, in the present communication we have carried out theoretical studies of lattice dynamics and dynamical elastic constants of Rh0.6Pd0.4 and Rh0.2Pd0.8 using transition metal pseudopotential. The form of the pseudopotential used in the present calculation is directly derived from generalized pseudopotential theory (GPT) and no phenomenology was used to construct pseudopotential in real space. The pseudopotential was found to be successful for the study of static, dynamic and transport properties of many transition metals. In absence of any experimental and theoretical studies first time we are presenting theoretical results of phonon dispersion for both the alloys which may be considered as prediction. Due to unavailability of experimental results, presently computed elastic constants are comparable with those studied recently by using Exact Muffin-Tin Orbitals method within the Perdew-Burke-Ernzerhof exchange-correlation approximation. Encouraged by present approach, we would like to extend it further for the remaining binary alloys of transition metals alloys.
过渡金属合金各种性能的实验和理论研究是材料科学研究的重要内容。受此启发,本文利用过渡金属赝势对Rh0.6Pd0.4和Rh0.2Pd0.8的晶格动力学和动态弹性常数进行了理论研究。在本计算中使用的伪势的形式是直接从广义伪势理论(GPT)中推导出来的,并且没有使用现象学来构造实空间中的伪势。伪势可以成功地用于研究许多过渡金属的静态、动态和输运性质。在没有任何实验和理论研究的情况下,我们首次提出了两种合金声子色散的理论结果,可以认为是预测。由于实验结果难以获得,目前计算的弹性常数与最近在Perdew-Burke-Ernzerhof交换相关近似中使用Exact Muffin-Tin轨道方法研究的弹性常数相当。在现有方法的鼓舞下,我们希望将其进一步推广到剩余的过渡金属二元合金。
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引用次数: 2
Structural, Optical and Electrical Properties of Ce Doped SnO2 Nanoparticles Prepared by Surfactant Assisted Gel Combustion Method 表面活性剂辅助凝胶燃烧法制备Ce掺杂SnO2纳米颗粒的结构、光学和电学性质
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(4).04017
M. Veerabhadrayya, R. Kumari, G. Nagaraju, Udayabhanu Udayabhanu, Y. T. Ravikiran, B. Chethan, Tumakuru India. Commerce
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引用次数: 4
Gain Enhancement of Microstrip Patch Antenna and Array Antenna Using Different Metamaterial Structures for Telemedicine Applications 微带贴片天线和阵列天线在远程医疗中的增益增强
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(5).05034
Parisa Shirvani, H. Shirzadfar
Telemedicine is a form of remote medical practice using information and communication technologies which facilitates distance mediation between the patient and the medical staff. In rural or remote areas where many of the specialized medical services required by the community do not reach, telemedicine can be a viable and reliable alternative to facilitate access to these services as the use of telemedicine technology leads to higher levels of health care and treatment. As in telemedicine systems antennas have an important role, we focus on the optimal design of used antennas to achieve better results. The role of an antenna is to convert the electrical energy of a signal into electromagnetic energy, or conversely to convert electromagnetic energy into electrical energy. A transmitting antenna is a device that transmits energy between an emitter and the free space where this energy will propagate. The rapid development of wireless communication systems has led to numerous improvements in telecommunication antennas and systems to meet the needs of telemedicine applications. The microstrip patch antenna is a planar antenna that has received a lot of attention due to its flat geometry. These types of antennas are very popular among designers and are used in many applications. This paper presents an improved patch antenna and array antenna with microstrip feed line using three kinds of metamaterial (MTM) structures that can be very useful in telemedicine systems. A metamaterial is an artificial composite material with unnatural electromagnetic properties. Different structures are considered and analyzed to reach a good performance antenna. Proposed structures increase the gain of antennas which are used in telemedicine systems. The structures of the mushroom-like electromagnetic band gap (EBG), the one layer and two-layer woodpile EBG in straight and curved forms have been discussed and analyzed. The operating frequency is 2.45 GHz for telemedicine applications. The simulation process has been done through High Frequency Structure Simulator (HFSS) software and the results are compared.
远程医疗是一种利用信息和通信技术的远程医疗实践形式,它促进了患者和医务人员之间的远程调解。在无法获得社区所需的许多专业医疗服务的农村或偏远地区,远程医疗可以成为便利获得这些服务的可行和可靠替代方案,因为使用远程医疗技术可提高保健和治疗水平。由于天线在远程医疗系统中具有重要的作用,我们将重点放在对所用天线的优化设计上,以达到更好的效果。天线的作用是把信号的电能转换成电磁能,或者反过来把电磁能转换成电能。发射天线是一种在发射器和自由空间之间传输能量的装置,该能量将在自由空间中传播。随着无线通信系统的快速发展,为了满足远程医疗应用的需要,对通信天线和通信系统进行了大量改进。微带贴片天线是一种平面天线,由于其平坦的几何形状而备受关注。这些类型的天线在设计师中非常受欢迎,并在许多应用中使用。本文提出了一种采用三种超材料结构的微带馈线贴片天线和阵列天线,可用于远程医疗系统。超材料是一种具有非自然电磁特性的人造复合材料。考虑并分析了不同的结构,以达到良好的性能天线。所提出的结构增加了用于远程医疗系统的天线增益。讨论和分析了蘑菇状电磁带隙(EBG)、单层和双层木桩带隙(EBG)的直线和弯曲结构。远程医疗应用的工作频率为2.45 GHz。通过高频结构模拟器(HFSS)软件进行了仿真,并对仿真结果进行了比较。
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引用次数: 1
Theoretical Study of Structural and Dynamical Properties of Liquid Ag74Ge26 Alloys Using Pseudopotential Method 伪势法研究液态Ag74Ge26合金的结构和动力学性能
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(2).02019
P. Suthar, P. Gajjar
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引用次数: 0
Structural-morphological and Conductive Properties of С-Al2O3 Composite Materials С-Al2O3复合材料的结构形态和导电性能
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(1).01013
V. Mandzyuk, I. Mironyuk, Y. Kulyk, N. A. Bezruka, Lviv Ukraine Mefodiy St.
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引用次数: 0
The Role of pH on Infrared Spectral, Structural and Morphological Properties of Room-temperature Precipitated CdS Nanoparticles pH对室温沉淀CdS纳米颗粒红外光谱、结构和形态性质的影响
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(1).01017
C. Sheng, Y. M. Alrababah
In this work, room-temperature treated CdS nanoparticles were prepared in KOH solution via precipitation at different pH values by varying the ammonium nitrate (NH4NO3) concentration. The crystallite phase and size, surface morphology and infrared frequencies of functional groups were characterized by X-ray diffractometer (XRD), scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) spectroscopy, respectively. The SEM images show that the CdS nanoparticles are spherical in shape. Meanwhile, the FTIR result reveals that a broad band occurred in the range of 400-700 cm − 1 could be attributed to the molecular bonding structure of CdS. The XRD patterns exhibit four well-resolved crystalline peaks that represents the diffraction planes of a cubic CdS phase. Nevertheless, a minor decrement in the intensity for both infrared and crystalline bands denotes a slight reduction in structure crystallinity and further indicates that a higher purity of finer CdS nanoparticles is obtained as the pH value decreases. Also, the diffraction peak becomes slightly widen that implies a decrease in the mean crystallite size as validated by Debye-Scherrer method. Owing to their unique nanostructural and morphological features, the CdS nanoparticles obtained in this study have potential applications in photonic devices, optoelectronics, photocatalysis and solar cells.
在本研究中,通过改变硝酸铵(NH4NO3)浓度,在不同pH值的KOH溶液中通过沉淀制备室温处理的CdS纳米颗粒。利用x射线衍射仪(XRD)、扫描电镜(SEM)和傅里叶变换红外光谱(FTIR)分别表征了晶相、尺寸、表面形貌和官能团的红外频率。SEM图像显示CdS纳米颗粒呈球形。同时,FTIR结果表明,CdS的分子键合结构在400-700 cm−1范围内产生了较宽的波段。XRD图谱显示出四个分辨良好的晶峰,代表立方CdS相的衍射面。然而,红外波段和晶体波段强度的轻微下降表明结构结晶度略有下降,进一步表明随着pH值的降低,更细的CdS纳米颗粒纯度更高。此外,衍射峰变宽,表明平均晶粒尺寸减小,这是由Debye-Scherrer方法验证的。由于其独特的纳米结构和形态特征,本研究获得的CdS纳米颗粒在光子器件、光电子学、光催化和太阳能电池等方面具有潜在的应用前景。
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引用次数: 4
Determination of Thickness and Optical Parameters of Thin Films from Reflectivity Spectra Using Teaching-Learning Based Optimization Algorithm 利用基于教学的优化算法从反射率光谱中确定薄膜厚度和光学参数
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(2).02015
S. J. Patel, A. Jariwala, C. Panchal, V. Kheraj
In this paper, we report a simple method to extract thickness and refractive index of thin-film from experimentally measured reflectivity spectra using teaching-learning based optimization (TLBO) algorithm. The algorithm finds thickness and refractive index by fitting an experimentally measured reflectivity spectra with theoretically ones generated by transfer matrix approach. The value of refractive index as a function of wavelength is determined by considering sellmeier dispersion relation. The algorithm is implemented by means of an interactive numerical simulation using LabVIEW as a programming tool. To check the effectiveness of the self-developed program, it is tested on different thin-film samples prepared from some commonly used optical materials such as MgF2, Al2O3 and SiO2 using electron beam evaporation technique. The values of thicknesses and refractive index spectra for different thin-film samples obtained by TLBO algorithm are verified using standard spectroscopic ellipsometry measurements. It is found that there is an excellent agreement between the results obtained by the TLBO algorithm and those by ellipsometry. It is also demonstrated that a simple reflectivity measurements give the valuable information about the thickness and dispersive refractive index over a range of wavelengths, which are obtained by our self-developed simulation program based on TLBO algorithm.
本文报道了一种利用基于教学的优化算法(TLBO)从实验测量的反射光谱中提取薄膜厚度和折射率的简单方法。该算法通过将实验测量的反射率光谱与传递矩阵法生成的理论反射率光谱拟合得到厚度和折射率。通过考虑塞尔梅尔色散关系,确定了折射率随波长的函数值。该算法以LabVIEW为编程工具,通过交互式数值模拟实现。为了验证该程序的有效性,采用电子束蒸发技术对MgF2、Al2O3和SiO2等常用光学材料制备的不同薄膜样品进行了测试。用标准椭偏光谱测量验证了TLBO算法得到的不同薄膜样品的厚度和折射率光谱值。结果表明,TLBO算法的结果与椭偏仪的结果有很好的一致性。通过自制的基于TLBO算法的仿真程序,通过简单的反射率测量,可以得到在一定波长范围内的厚度和色散折射率。
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引用次数: 0
Synthesis and Electrochemical Properties of Mesoporous α-MnO2 for Supercapacitor Applications 超级电容器用介孔α-MnO2的合成及其电化学性能
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(3).03030
P. Kolkovskyi, B. Rachiy, M. I. Kolkovskyi, B. Ostafiychuk, I. Yaremiy, V. Kotsyubynsky, R. V. Ilnitsky
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引用次数: 1
Simulation Study of Metal-semiconductor Back Contact p-c-Si/Al on Silicon Heterojunction Solar Cells 硅异质结太阳能电池金属-半导体背接触p-c-Si/Al的模拟研究
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(5).05022
K. Bendjebbar, D. Rached, W. Rahal, S. Bahlouli
The silicon HIT (heterojunction with intrinsic thin layer) solar cell has great potential to improve photovoltaic efficiency and reduce costs because of the low temperature deposition technology of hydrogenated amorphous silicon a-Si:H combined with the high stable efficiency of crystalline silicon c-Si. To gain insight into the general functioning of the HIT solar cell, we have studied in this article the semiconductor-metal junction at the back contact of HIT p-type c-Si solar cell: (indium tin oxide (ITO)/hydrogenated n-doped amorphous silicon (n-a-Si:H)/hydrogenated intrinsic polymorphous silicon (i-pm-Si:H)/p-doped crystalline silicon (p-c-Si)/aluminum (Al)). Using computer modeling, we have found that unlike the junction on ITO/ n-a-Si:H on the front HIT solar cells which does not depend on the front contact barrier height b0, an increase in the back contact barrier height bL leads to an upward band bending in the valence band in this type of cell which eliminates the barrier for holes and makes more photogenerated holes able to pass from the active layer (p-doped crystalline silicon p-c-Si) to the metal (aluminium). The increase in the electric field by changing the surface band bending at the junction p-c-Si/Al causes an increase in VOC which leads to an increase in the solar cell efficiency from 17.21 % to 17.38 %. Choosing metal with high work function like palladium, chrome or ruthenium, could be the best choice as a back contact for this type of solar cell.
由于氢化非晶硅a-Si:H的低温沉积技术与晶体硅c-Si的高稳定效率相结合,硅HIT(异质结与本禀薄层)太阳能电池在提高光伏效率和降低成本方面具有很大的潜力。为了深入了解HIT太阳能电池的一般功能,我们在本文中研究了HIT p型c-Si太阳能电池背面接触处的半导体-金属结:(氧化铟锡(ITO)/氢化n掺杂非晶硅(n-a-Si:H)/氢化本构多晶硅(i- m- si:H)/p掺杂晶体硅(p-c-Si)/铝(Al))。使用计算机模型,我们发现,与结在ITO / n-a-Si: H在前面打太阳能电池不依赖于前面接触势垒高度b0,增加背接触势垒高度提单导致一个向上的能带弯曲在价带中这种类型的细胞屏障了漏洞和更photogenerated孔能够从活跃层(p型晶体硅p-c-Si)金属(铝)。通过改变p-c-Si/Al连接处的表面带弯曲来增加电场,导致VOC增加,从而使太阳能电池效率从17.21%提高到17.38%。选择具有高功功能的金属,如钯、铬或钌,可能是这类太阳能电池背触点的最佳选择。
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引用次数: 0
Biosensors: Design, Classification and Application 生物传感器:设计、分类与应用
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(3).03033
N. Inshyna, I. Chorna, L. Primova, L. Hrebenyk, Y. Khyzhnia
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引用次数: 2
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Journal of Nano- and Electronic Physics
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