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Electronic and optical properties of strain-regulated O-doped monolayer MoS2 应变调节 O 掺杂单层 MoS2 的电子和光学特性
Pub Date : 2024-02-02 DOI: 10.1142/s0217984924502002
Xuewen Gao, Ying Wang, Qing Su, Yan Su, Mengmeng Zhao, Yilin Wang, Guili Liu, Guoying Zhang
The effect of biaxial strain on O-doped monolayers MoS2 has been systematically studied by the first-principles calculations. It is shown that the strain decreases the structural stability of O-doped monolayer MoS2. Between 0% and 12% tensile strains, the bandgap steadily narrows. At different compression strains, the bandgap increases and then decreases. The optical properties analysis shows that the strain causes the peaks of both the real and imaginary parts of the dielectric function to appear in the low energy region. And it affects the absorption and reflection peaks of the doping system so that it has a strong absorption of photons in the ultraviolet region. The doping system shows resonance in the range of 0–10[Formula: see text]eV. The results of this study verify that strain can properly regulate the electronic and optical properties of O-doped monolayer MoS2, and provide a theoretical reference for the implementation of MoS2 in optoelectronic devices.
通过第一性原理计算,系统地研究了双轴应变对掺杂 O 的单层 MoS2 的影响。结果表明,应变会降低掺杂 O 的单层 MoS2 的结构稳定性。在 0% 到 12% 的拉伸应变之间,带隙逐渐变窄。在不同的压缩应变下,带隙先增大后减小。光学特性分析表明,应变会导致介电函数的实部和虚部的峰值出现在低能区。应变还影响了掺杂系统的吸收峰和反射峰,使其在紫外区对光子有很强的吸收。掺杂体系在 0-10[式中:见正文]eV 范围内出现共振。该研究结果验证了应变可以适当调节 O 掺杂单层 MoS2 的电子和光学特性,为 MoS2 在光电器件中的应用提供了理论参考。
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引用次数: 0
Linear regression analysis of MHD Maxwell nanofluid flow over a stretched surface of varying thickness with heat flux and chemical reaction 麦克斯韦纳米流体在不同厚度的拉伸表面上流动时与热通量和化学反应的线性回归分析
Pub Date : 2024-01-29 DOI: 10.1142/s021798492450204x
Aamir Ali, Muhammad F. Afzaal, M. Sulaiman, S. Hussain, M. Ashraf
Non-Newtonian materials have been an appealing topic for researchers because of the variety of laboratory and industrial process involving these fluids. There are several kinds of non-Newtonian fluids classified according to their properties. In this study, the Maxwell fluid model is analyzed due to the unique properties and applications of this non-Newtonian material. We have considered the Buongiorno model for nanofluid, which is a two-phase model that accounts for the effects of Brownian motion and thermophoresis on the transport of nanoparticles in a fluid. A stretching surface holding a chemically reactive fluid is assumed. In addition, the study also considers the impacts of heat flux and magnetic fields. The influence of various physical factors on the flow fields is presented and graphically highlighted. Using linear regression and the data point approach, the relationship between the physical parameters, such as rate of heat and mass transfer, at the surface is investigated. The relationship between the various physical parameters was investigated using the t-test approach. The Maxwell fluid parameter influences heat transmission at the surface. As the magnetic field and heat source parameters increases, the rate of heat transfer decreases. Increasing the Deborah number, chemical reaction parameter and magnetic field parameter enhances the mass transfer rate at the surface. The fluid’s velocity decreases with rising magnetic field and Maxwell fluid parameters. The heat source parameter elevates fluid temperature, while inclusion of the chemical reactions parameter reduces nanoparticle concentration.
非牛顿材料一直是吸引研究人员的一个话题,因为实验室和工业过程中会用到这些流体。非牛顿流体根据其特性可分为多种类型。在本研究中,我们分析了麦克斯韦流体模型,因为这种非牛顿流体材料具有独特的性质和应用。我们考虑了纳米流体的 Buongiorno 模型,这是一种两相模型,考虑了布朗运动和热泳对纳米粒子在流体中传输的影响。假定一个拉伸表面容纳化学反应流体。此外,研究还考虑了热流和磁场的影响。各种物理因素对流场的影响均以图表形式呈现。利用线性回归和数据点方法,研究了表面传热和传质速率等物理参数之间的关系。使用 t 检验法研究了各种物理参数之间的关系。麦克斯韦流体参数影响表面的热传递。随着磁场和热源参数的增加,传热速率降低。增加德博拉数、化学反应参数和磁场参数会提高表面的传质速率。流体速度随着磁场和麦克斯韦流体参数的增加而降低。热源参数会提高流体温度,而加入化学反应参数则会降低纳米粒子浓度。
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引用次数: 0
Stability analysis of nonlinear convective boundary layer flow on a shrinking surface in the presence of viscous dissipation 存在粘性耗散时收缩表面上非线性对流边界层流动的稳定性分析
Pub Date : 2024-01-29 DOI: 10.1142/s0217984924501653
Ali Rehman, Muhammad Zeb, Asif Waheed, Mostafa Inc, Budur Yagoob, Rashid Jan
This study investigates analytically the stability analysis of a nonlinear convective boundary layer (BL) flow of the nanofluids GO-EG and GO-W on a shrinking surface in the presence of a magnetic field and viscous dissipation. We provide a second-order nonlinear ordinary differential equation (NODE) for temperature distribution (TD) and a third-order NODE for velocity profile (VP) coupling based on the thermophysical characteristics of the base fluid and nanofluid as well as similarity transformations (STs) in the fundamental governing equations of momentum and energy. The analytical method HAM is used to answer the equations that have been gathered. In many different industries, such as manufacturing, automotive, microelectronics, and defense, cooling of various types of equipment and devices has very important challenges. To fulfill the demands of the engineering and industrial industries, it is hoped that this issue would significantly improve the heat transformation ratio.
本研究通过分析研究了在存在磁场和粘性耗散的情况下,纳米流体 GO-EG 和 GO-W 在收缩表面上的非线性对流边界层(BL)流动的稳定性分析。我们根据基础流体和纳米流体的热物理特性以及动量和能量基本控制方程中的相似变换(ST),提供了温度分布(TD)的二阶非线性常微分方程(NODE)和速度曲线(VP)耦合的三阶 NODE。分析方法 HAM 用于回答收集到的方程。在制造、汽车、微电子和国防等许多不同行业中,各类设备和装置的冷却都面临着非常重要的挑战。为了满足工程和工业行业的需求,希望这一问题能显著提高热转换率。
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引用次数: 0
Polarization-encoded 3D structured light and multifocal spot arrays generation based on metasurface 基于元表面的偏振编码三维结构光和多焦光斑阵列生成技术
Pub Date : 2024-01-29 DOI: 10.1142/s0217984924501860
Jiaqi Zhao, Suyang Ge, Yingbo Li, Zilei Liu, Weihua Yang, Siqi Li
Fluorescence microscopy possesses the advantages of high resolution, high sensitivity, molecular specificity and noninvasiveness, providing an important tool in life science research. The multifocal array and 3D structured light are two kinds of important light fields that are often used in scanning fluorescence microscopy systems and wide-field fluorescence microscopy systems. However, traditional methods for generating multifocal arrays and 3D structured light illumination rely on various bulk optical components, making it challenging to achieve compact optical systems. Besides, generating these two types of illumination typically requires two separate and independent optical systems, hindering the integration of different types of fluorescence microscopy systems. Here, a dielectric metasurface is proposed that can achieve the switching between multifocal arrays and 3D structured light through polarization state modulation, greatly simplifying the illumination optics of fluorescence microscopy systems and facilitating the integration of different types of fluorescence microscopy systems.
荧光显微镜具有高分辨率、高灵敏度、分子特异性和无损伤等优点,是生命科学研究的重要工具。多焦阵列和三维结构光是扫描荧光显微系统和宽场荧光显微系统中经常使用的两种重要光场。然而,生成多焦阵列和三维结构光照明的传统方法依赖于各种大体积光学元件,这使得实现紧凑型光学系统具有挑战性。此外,产生这两种类型的照明通常需要两个独立的光学系统,阻碍了不同类型荧光显微镜系统的集成。本文提出了一种介电元表面,它可以通过偏振态调制实现多焦阵列和三维结构光之间的切换,从而大大简化了荧光显微镜系统的照明光学系统,促进了不同类型荧光显微镜系统的集成。
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引用次数: 0
Preface: Electron Correlation in Superconductors and Nanostructures 前言:超导体和纳米结构中的电子相关性
Pub Date : 2024-01-29 DOI: 10.1142/s0217984923020013
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引用次数: 0
A special case on the distillability problem of two-copy n×n Werner states 双拷贝 n×n 维纳状态的可蒸馏性问题特例
Pub Date : 2024-01-29 DOI: 10.1142/s0217984924502099
Huilin Chen
In this paper, we delve into a nuanced aspect of the distillability problem within the realm of entanglement theory, specifically examining the distillability of anti-diagonal [Formula: see text] entangled Werner states under the framework of local operations and classical communication (LOCC). To address this, we scrutinize a conjecture central to the distillability issue, initially focusing on its implications in 4-dimensional and 5-dimensional contexts. Through rigorous calculations, we establish that these cases align with the conjecture. Subsequently, we broaden our investigation to encompass [Formula: see text] matrices, demonstrating that both even and odd n-dimensional anti-diagonal matrices are in concordance with the conjecture, thus contributing to a deeper understanding of the distillability problem in quantum entanglement.
在本文中,我们将深入探讨纠缠理论领域中可馏分性问题的一个细微方面,特别是在局部操作与经典通信(LOCC)框架下考察反对角[公式:见正文]纠缠的维尔纳态的可馏分性。为了解决这个问题,我们仔细研究了可蒸馏性问题的一个核心猜想,首先关注它在 4 维和 5 维背景下的影响。通过严格的计算,我们确定这些情况与猜想一致。随后,我们将研究范围扩大到[公式:见正文]矩阵,证明偶数和奇数 n 维反对角矩阵都与猜想一致,从而有助于加深对量子纠缠中可馏分性问题的理解。
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引用次数: 0
Investigation of structural, electronic, magnetic, and mechanical stability of a non-trivial topology phase in compound full-Heusler alloys TiHfFeX (X=Al, Ga, In) 复合全赫斯勒合金 TiHfFeX(X=Al、Ga、In)中非三维拓扑相的结构、电子、磁性和机械稳定性研究
Pub Date : 2024-01-27 DOI: 10.1142/s0217984924501872
I. Ait Elkoua, R. Masrour
In this paper, we present studies relating to the structural, electronic, magnetic and mechanical properties of TiHfFeX ([Formula: see text], Ga, In) full Heusler alloys. We will use the GGA-PBE, TB-mBj, GGA-PBEsol, and GGA-WC approximation implemented in the density functional of the theory as integrated into the Wien2k software. However, the full Heusler alloys studied are considered in the ferromagnetic phase for different structural stabilities of the TiHfFeAl, TiHfFeGa and TiHfFeIn phases. types I, II or III, respectively. Calculation of band structures and total electron density of states shows that these alloys can both exhibit topologically non-trivial semi-metallic characteristics with energy bandgaps of 0.010[Formula: see text]eV, 0.014[Formula: see text]eV and 0.018[Formula: see text]eV. The electronic stability of ’such a Heusler structure will have nothing to do with its mechanical stability. Calculations reveal that the systems exhibit semi-metallic ferromagnetism. The elastic constants and the associated elastic moduli confirm its stability given by different elastic constants namely the Cauchy pressure, Poisson’s ratio, the anisotropy factor, Young’s modulus and the shear modulus.
本文介绍了有关 TiHfFeX([式:见正文],Ga,In)全 Heusler 合金的结构、电子、磁性和机械性能的研究。我们将使用 GGA-PBE、TB-mBj、GGA-PBEsol 和 GGA-WC 近似值,这些近似值在 Wien2k 软件集成的理论密度函数中实现。然而,所研究的全 Heusler 合金是在铁磁相中分别考虑了 TiHfFeAl、TiHfFeGa 和 TiHfFeIn 相的不同结构稳定性。能带结构和总电子态密度的计算表明,这些合金都能表现出拓扑非三价半金属特性,能带隙分别为 0.010[式:见正文]eV、0.014[式:见正文]eV 和 0.018[式:见正文]eV。这种 Heusler 结构的电子稳定性与其机械稳定性毫无关系。计算显示,这些系统呈现出半金属铁磁性。弹性常数和相关弹性模量证实了由不同弹性常数(即考希压力、泊松比、各向异性因子、杨氏模量和剪切模量)给出的稳定性。
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引用次数: 0
Evaluation of graphene microstructural and optical properties affected by high-temperature annealing and rapid cooling in a nitrogen-rich environment 评估富氮环境下高温退火和快速冷却对石墨烯微观结构和光学特性的影响
Pub Date : 2024-01-27 DOI: 10.1142/s0217984924501847
Rohit Srivastava, Pankaj Kumar Singh, Pradeep Kumar Singh
Annealing at high temperatures holds the possibility of concentrating defects in the graphene. Moreover, a significant increase in annealing temperature destroys the surface properties. In this work, the reduced graphene oxide (RGO) was prepared by an electrochemical technique with a high voltage ([Formula: see text][Formula: see text]V, [Formula: see text][Formula: see text]A). Then, the potential effects of impact on thermal treatment in a temperature range of 800–1000∘C in nitrogen-rich environment on the microstructure and surface morphology, thermal stability, phase and crystallinity, structural disorder, absorption properties, and optical properties of RGO for optoelectronic applications were investigated. In addition, a link was established between the estimated crystallite sizes determined by X-ray diffraction (XRD) and Raman data. The microstructural data indicate that the annealing temperature has a significant effect on the microstructure and carbon–oxygen (C/O) ratio. The C/O ratio increases as a function of annealing temperature. Atomic force microscope (AFM) analysis revealed that the root mean square (RMS) roughness of annealed RGO increases with increasing annealing temperature indicating an increase in crystallite size during annealing. Since most organic compounds were removed from the surface of the annealed RGO, oxygen functionalities appear to have minimal effect on the thermal stability of RGO. The size of graphene crystallites increases with annealing temperature, as shown by XRD observations. The crystalline structure was restored by annealing. The Raman results show that in the “low” defect density zone, the [Formula: see text] values increase because a larger defect density causes a stronger elastic scattering. UV–Vis spectroscopy shows that the absorption of RGO is not affected by annealing temperatures between 800∘C and 900∘C. The optical bandgap of annealed RGOs decreases from 4.08 to 3.72[Formula: see text]eV upon annealing in the temperature range of 800–1000∘C.
高温退火有可能使石墨烯中的缺陷集中。此外,退火温度的大幅升高会破坏石墨烯的表面特性。在这项工作中,还原氧化石墨烯(RGO)是通过高电压电化学技术制备的([式:见正文][式:见正文]V,[式:见正文][式:见正文]A)。然后,研究了在富氮环境中 800-1000∘C 温度范围内进行热处理对 RGO 的微观结构和表面形貌、热稳定性、相和结晶度、结构无序性、吸收特性和光学特性的潜在影响。此外,通过 X 射线衍射(XRD)测定的估计晶粒大小与拉曼数据之间建立了联系。微观结构数据表明,退火温度对微观结构和碳氧(C/O)比有显著影响。碳氧比随退火温度的升高而增加。原子力显微镜(AFM)分析表明,退火后的 RGO 的均方根(RMS)粗糙度随着退火温度的升高而增加,表明退火过程中晶体尺寸增大。由于退火后的 RGO 表面大部分有机化合物已被去除,因此氧官能性对 RGO 热稳定性的影响似乎微乎其微。XRD 观察结果表明,石墨烯晶体的尺寸随着退火温度的升高而增大。退火后晶体结构得以恢复。拉曼结果表明,在 "低 "缺陷密度区,[公式:见正文]值会增加,因为较大的缺陷密度会导致较强的弹性散射。紫外可见光谱显示,RGO 的吸收不受 800∘C 至 900∘C 退火温度的影响。在 800-1000∘C 的退火温度范围内,退火后的 RGO 的光带隙从 4.08 降至 3.72[式中:见正文]eV。
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引用次数: 0
Modelling and analysis of high efficiency silicon solar cell using double layers anti-reflection coatings (ARC) 使用双层减反射涂层 (ARC) 的高效硅太阳能电池的建模与分析
Pub Date : 2024-01-27 DOI: 10.1142/s0217984924502014
N. I. I. M. Jamaluddin, Mohd Zaki Mohd Yusoff, Mohd Firdaus Malek
The modernization that is currently taking over across the world is resulting in numerous advancements in a variety of industries, and the most notable and apparent development is the rising use of solar energy, which has become more prevalent every day. Most companies, residences, schools, and other organizations rely mostly on solar energy as the main source of electricity. It was discovered that anti-reflective coating (ARC) had been applied to solar cells with the goal of increasing power conversion efficiency, decreasing reflection loss, and improving absorption. Although a single layer of ARC is sufficient, applying an additional layer might improve the solar cell application’s effectiveness. Hence, the modeling and analysis of double layers of anti-reflection coating (ARC) with different types of materials have been investigated and evaluated using personal computer one-dimensional (PC1D) simulation software. In this study, the double-layer anti-reflection coating on the solar cell was modeled using PC1D, where this software allowed for one-dimensional simulation of the parameters required for the operation of semiconductor-based solar energy systems. The PC1D simulation reveals that SiO2/TiO2 has the highest efficiency (22.82%) and lowest reflection compared to Si3N4/TiO2 and ZnO/TiO2. Also, SiO2/TiO2 generates the highest external quantum efficiency (EQE) among ARC double layers, making it ideal for silicon solar cell applications in order to boost the solar cell’s efficiency. The results for the effects of current, voltage, reflection, and EQE of the different double layers of ARC have also been studied in this paper.
当前,现代化浪潮席卷全球,各行各业都在不断进步,其中最显著、最明显的发展就是太阳能的使用与日俱增。大多数公司、住宅、学校和其他组织主要依靠太阳能作为主要电力来源。人们发现,抗反射涂层(ARC)被应用于太阳能电池,目的是提高功率转换效率、减少反射损失和改善吸收。虽然单层 ARC 就足够了,但多涂上一层可能会提高太阳能电池的应用效果。因此,我们使用个人电脑一维(PC1D)仿真软件对使用不同类型材料的双层减反射涂层(ARC)进行了建模和分析研究与评估。本研究使用 PC1D 对太阳能电池上的双层减反射涂层进行建模,该软件可对基于半导体的太阳能系统运行所需的参数进行一维模拟。PC1D 模拟显示,与 Si3N4/TiO2 和 ZnO/TiO2 相比,SiO2/TiO2 的效率最高(22.82%),反射率最低。此外,在 ARC 双层中,SiO2/TiO2 产生的外部量子效率(EQE)最高,因此非常适合硅太阳能电池应用,以提高太阳能电池的效率。本文还研究了不同 ARC 双层对电流、电压、反射和 EQE 的影响。
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引用次数: 0
Electronic and optical properties of rare earth tetraborides RB4 (R=ND, TB, DY, and ER): First-principles calculations 稀土四硼化物 RB4(R=ND、TB、DY 和 ER)的电子和光学特性:第一原理计算
Pub Date : 2024-01-11 DOI: 10.1142/s0217984924501793
Xing Han, Jian Wang, Zhijun He
The electronic structures and optical properties of tetraborides RB4 ([Formula: see text], Tb, Dy, and Er) are systematically investigated through the first-principles technique. The band structure and density of states (DOS) show that RM4 has metal and magnetic characteristics. The DOS near the Fermi is dominated by R-4f states, which are responsible for the magnetic moments. The optical properties including refractive index, conductivity, absorptivity, reflectivity, and loss function are obtained based on the complex dielectric functions. The static dielectric constants and static refractive are presented. The absorptivity results indicate that tetraborides exhibit excellent optical absorption in the ultraviolet-visible (UV-Vis) regions. The reflectivity shows that RB4 is an ideal near-infrared reflective material. This study provides theoretical insights into the optical applications of tetraborides.
通过第一原理技术系统地研究了四硼化物 RB4([式:见正文],Tb、Dy 和 Er)的电子结构和光学性质。带状结构和态密度(DOS)表明,RM4 具有金属和磁性特征。费米附近的 DOS 由 R-4f 态主导,它们是磁矩的来源。根据复介电常数获得了包括折射率、电导率、吸收率、反射率和损耗函数在内的光学特性。还给出了静态介电常数和静态折射率。吸收率结果表明,四硼化物在紫外-可见光(UV-Vis)区域表现出优异的光吸收性能。反射率表明,RB4 是一种理想的近红外反射材料。这项研究为四硼化物的光学应用提供了理论依据。
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引用次数: 0
期刊
Modern Physics Letters B
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