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Characteristic performance and analysis of the positional variation of the charge generation layer to enhance the performance of OLEDs 提高OLED性能的电荷产生层的特性性能和位置变化分析
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-24 DOI: 10.1007/s10825-023-02100-1
Sugandha Yadav, Poornima Mittal, Shubham Negi

In this paper, a highly efficient charge generation layer (CGL)-based blue organic light-emitting diode is proposed. The proposed device contains a CGL composed of two materials, 1,1-bis[(di-4-tolyamino)phenyl]cyclohexane (TAPC) and 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile (HAT-CN), which act as hole and electron injectors, respectively. The CGL in the proposed device is placed outside the emissive layer, which provides better luminescence and current as compared with four other CGL-based devices D2, D3, D4 and D5 where CGL is utilized below the cathode, above the anode, near both electrodes (cathode and anode) and inside the emissive layer, respectively. The proposed device exhibits noteworthy results, achieving peak current and luminescence values of 0.44 A and 3636.3 cd/m2, respectively. The luminescence obtained is improved by about 16.8, 2.3, 1.7, 3, and 1.6 times compared with D1, D2, D3, D4 and D5. Thickness optimization of the proposed device is also outlined. The optimized device shows maximum luminescence of 4670 cd/m2.

本文提出了一种基于高效电荷产生层(CGL)的蓝色有机发光二极管。所提出的装置包含由两种材料组成的CGL,1,1-双[(二-4-甲苯氨基)苯基]环己烷(TAPC)和1,4,5,8,9,11-六氮杂三苯基-六腈(HAT-CN),它们分别用作空穴和电子注入器。所提出的器件中的CGL被放置在发射层之外,与其他四个基于CGL的器件D2、D3、D4和D5相比,这提供了更好的发光和电流,其中CGL分别被利用在阴极下方、阳极上方、两个电极(阴极和阳极)附近和发射层内部。所提出的器件显示出显著的结果,分别获得0.44A和3636.3cd/m2的峰值电流和发光值。与D1、D2、D3、D4和D5相比,所获得的发光提高了约16.8、2.3、1.7、3和1.6倍。还概述了所提出的器件的厚度优化。优化后的器件显示出4670 cd/m2的最大发光量。
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引用次数: 0
Optimization of CdS-free non-toxic electron transport layer for Sb2S3-based solar cell with notable enhanced performance 性能显著提高的Sb2S3基太阳能电池无CdS无毒电子传输层的优化
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-20 DOI: 10.1007/s10825-023-02106-9
Sameen Maqsood, Zohaib Ali, Khuram Ali, Rimsha Bashir Awan, Yusra Arooj, Ayesha Younus

In this investigation, we develop CdS-free non-toxic thin-film solar cell structure with antimony sulfide (Sb2S3) as an absorber material. Sb2S3 has found to be a promising candidate for production of renewable energy. Solar cells based on Sb2S3 have been attracted worldwide attraction due to their outstanding efficiency and low cost. To serve as an optimistic buffer layer, 3C-SiC (cubic silicon carbide) is used thanks to its suitable bandgap to replace toxic cadmium sulfide (CdS). SCAPS-1D (one-dimensional solar cell capacitance simulator) software has been employed to numerically investigate the performance of Sb2S3-based n-ZnO/n-3C-SiC/p-Sb2S3 heterostructure solar cells. The influence of absorber/buffer layer thickness, acceptor/donor densities, and defect density on device working have been investigated. Consequently, the role of defects in p-Sb2S3 along with the significance of n-3C-SiC/p-Sb2S3 interface defects has been studied to provide recommendations for achieving high efficiency. The proposed structure provides the enhanced efficiency of 17% under 1.5 G illumination spectrum. The parameters regarding solar cell performance such as Voc, Jsc, FF, QE and η have been studied graphically. This novel structure may have considerable influence on progress of improved photovoltaic devices in future.

在本研究中,我们开发了以硫化锑(Sb2S3)为吸收材料的无硫化镉无毒薄膜太阳能电池结构。Sb2S3已被发现是生产可再生能源的一种有前景的候选者。基于Sb2S3的太阳能电池由于其卓越的效率和低成本而受到世界各地的关注。为了作为一种理想的缓冲层,3C-SiC(立方碳化硅)因其合适的带隙而被用来取代有毒的硫化镉(CdS)。采用SCAPS-1D(一维太阳能电池电容模拟器)软件对基于Sb2S3的n-ZnO/n-3C-SiC/p-Sb2S3异质结构太阳能电池的性能进行了数值研究。研究了吸收/缓冲层厚度、受主/施主密度和缺陷密度对器件工作的影响。因此,已经研究了缺陷在p-Sb2S3中的作用以及n-3C-SiC/p-Sb2S3界面缺陷的重要性,以提供实现高效率的建议。所提出的结构在1.5G照明光谱下提供了17%的增强效率。对Voc、Jsc、FF、QE和η等太阳能电池性能参数进行了图形化研究。这种新型结构可能对未来改进光伏器件的进展产生相当大的影响。
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引用次数: 0
Run-time reconfigurable nanomagnetic logic gates and comparator designs using very high-permeability material 运行时可重新配置的纳米磁逻辑门和使用非常高磁导率材料的比较器设计
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-20 DOI: 10.1007/s10825-023-02105-w
Vineet Jaiswal, Trailokya Nath Sasamal

Nanomagnetic logic is a recent technology used in electronic devices and systems. The current challenge in circuit miniaturization has prompted a move away from the traditional metal-oxide-semiconductor technology. Nanomagnetic logic-based devices have no leakage current, and they are also non-volatile. In this paper, we propose run-time reconfigurable layout designs for the logic gates, and to show the applicability of the logic gates, we implement a single-bit comparator design. For the logic gate designs, we use slant-edge nanomagnets of different shapes as inputs. The proposed layout designs are verified using the MuMax3 micro-magnetic simulation tool, and results are compared with a previous approach. The implementation of a single-bit comparator design can significantly reduce the number of nanodots required, typically by (sim)50–80%, as well as the area occupancy, which can be reduced by (sim)56–99%.

纳米磁逻辑是一种用于电子设备和系统的最新技术。目前电路小型化面临的挑战促使人们放弃了传统的金属氧化物半导体技术。基于纳米磁逻辑的器件没有漏电流,而且它们也是非易失性的。在本文中,我们提出了逻辑门的运行时可重构布局设计,并为了展示逻辑门的适用性,我们实现了一个单比特比较器设计。对于逻辑门设计,我们使用不同形状的倾斜边缘纳米磁体作为输入。使用MuMax3微磁模拟工具对所提出的布局设计进行了验证,并将结果与以前的方法进行了比较。单比特比较器设计的实现可以显著减少所需的纳米点数量,通常减少50–80%,以及面积占用,可以减少56–99%。
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引用次数: 0
Comparative study for effect of Ti, Nb and W incorporation on the electronic and optical properties of pristine hafnia (m-HfO2): DFT theoretical prospective Ti、Nb和W掺入对原始铪(m-HfO2)电子和光学性能影响的比较研究:DFT理论展望
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-19 DOI: 10.1007/s10825-023-02103-y
El-Sayed R. Khattab, Walid M. I. Hassan, Tamer S. El-Shazly, Magdy A. M. Ibrahim, Sayed S. Abd El Rehim

First-principles calculations using the Hubbard approach (DFT + U) with PBEsol correlation were performed to compare the effects of incorporating 3d, 4d, and 5d metal atoms on the electronic and optical properties of m-HfO2. Incorporating metal atoms in the HfO2 crystal structure shifted the band gap edges and lowered the conduction band minimum, reducing the band gap as follows: 5.24 eV for HfO2, 3.26 eV for HfO2:Ti, 1.12 eV for HfO2:W, and 0.92 eV for HfO2:Nb. Total and partial density of states calculations showed that the valence band maximum of pristine HfO2 is mainly constructed from O 2p states, while the conduction band minimum is mainly from Hf 4d states. For doped crystals, the conduction band minimum is mainly from 3d states of Ti, 4d states of Nb, and 5d states of W. For pristine HfO2, the calculated dielectric constant, reflectivity and refractive index match available experimental and theoretical data. For doped systems, incorporating Nb (4d metal) and W (5d metal) had similar effects on the electronic and optical properties of HfO2, differing more from incorporating Ti (3d metal). HfO2 absorption roughly doubled upon Ti atom insertion (HfO2:Ti). Based on the results of this study, we would like to emphasize that these results provide a solid theoretical starting point that motivates further experimental studies into the application potential of these doped metal oxide systems.

使用Hubbard方法的第一性原理计算(DFT + U) 用PBEsol关联来比较掺入3d、4d和5d金属原子对m-HfO2的电子和光学性质的影响。在HfO2晶体结构中引入金属原子使带隙边缘偏移并降低导带最小值,使带隙减小如下:HfO2为5.24eV,HfO2:Ti为3.26eV,HfO2:W为1.12eV,以及HfO2:Nb为0.92eV。总态密度和部分态密度计算表明,原始HfO2的价带最大值主要由O2p态构成,而导带最小值主要由Hf4d态构成。对于掺杂晶体,导带最小值主要来自Ti的3d态、Nb的4d态和W的5d态。对于原始HfO2,计算的介电常数、反射率和折射率与可用的实验和理论数据相匹配。对于掺杂系统,掺入Nb(4d金属)和W(5d金属)对HfO2的电子和光学性质具有相似的影响,与掺入Ti(3d金属)的影响更大。HfO2吸收在Ti原子插入时大致加倍(HfO2:Ti)。基于这项研究的结果,我们想强调的是,这些结果提供了一个坚实的理论起点,推动了对这些掺杂金属氧化物系统应用潜力的进一步实验研究。
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引用次数: 0
Efficient implementation of a DSIG-JLT-based multiplexer and demultiplexer using different logic styles at 20-nm technology 在20nm技术下使用不同逻辑样式的基于DSIG JLT的多路复用器和多路分解器的有效实现
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-13 DOI: 10.1007/s10825-023-02099-5
Neha Garg, Yogesh Pratap, Sneha Kabra

The aim of this paper is to propose a compact device to design a multiplexer and demultiplexer which can reduce the circuit area while maintaining competitive performance. A novel device, the dielectric-separated independent-gate junctionless transistor (DSIG-JLT), is used to implement functional logic of a multiplexer and demultiplexer. The DSIG-JLT has four gates that can be electrically controlled in multiple ways to realize different digital logics. The DSIG-JLT is used to realize a 2 × 1 multiplexer and 1 × 2 demultiplexer by two different logic styles. The 2 × 1 multiplexer is implemented using four transistors, and the 1 × 2 demultiplexer is implemented using five transistors by NAND logic (logic style-1). Further, by using mixed logic, the 2 × 1 multiplexer is designed using three transistors, and the 1 × 2 demultiplexer using four transistors (logic style-2). A 4 × 1 multiplexer is also implemented using eight transistors. The propagation delay, rise time, and fall time of the 2 × 1 multiplexer (logic style-1) are calculated and are found to be 24.45 ps, 31 ps, and 8.2 ps, respectively, at a supply voltage (VDD) of 1 V. It is found that with a change in supply voltage from 0.7 to 1.0 V, the delay, rise time, and fall time decrease by 17.2%, 11.4%, and 65.69%, respectively. Simulations are carried using the ATLAS 3D device simulator in mixed mode.

Graphical abstract

本文的目的是提出一种紧凑的器件来设计多路复用器和多路分解器,它可以在保持竞争性能的同时减少电路面积。一种新的器件,介质分离的独立栅极无接点晶体管(DSIG-JLT),用于实现多路复用器和多路分解器的功能逻辑。DSIG-JLT有四个门,可以通过多种方式进行电气控制,以实现不同的数字逻辑。DSIG-JLT用于实现2 × 1个多路复用器和1个 × 2多路分解器。2 × 1多路复用器使用四个晶体管实现 × 2解复用器由NAND逻辑(逻辑样式-1)使用五个晶体管来实现。此外,通过使用混合逻辑 × 1多路复用器使用三个晶体管设计 × 2多路分解器,使用四个晶体管(逻辑样式-2)。A 4 × 1多路复用器也使用八个晶体管来实现。2的传播延迟、上升时间和下降时间 × 1多路复用器(逻辑样式-1),并且发现在1V的电源电压(VDD)下分别为24.45ps、31ps和8.2ps。研究发现,当电源电压从0.7 V变化到1.0 V时,延迟、上升时间和下降时间分别减少了17.2%、11.4%和65.69%。在混合模式下使用ATLAS 3D设备模拟器进行模拟。图形摘要
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引用次数: 0
Learning search algorithm to solve real-world optimization problems and parameter extract of photovoltaic models 求解实际优化问题的学习搜索算法和光伏模型的参数提取
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-09 DOI: 10.1007/s10825-023-02095-9
Chiwen Qu, Zenghui Lu, Fanjing Lu

Solar energy is widely acknowledged as a promising and abundant source of clean electricity. Unfortunately, the efficiency of converting solar energy into electricity using photovoltaic (PV) systems is not yet satisfactory due to technical limitations. To improve this, it is essential to develop an accurate model that incorporates well-estimated parameters. However, the parameter identification process in the PV model is challenging due to its nonlinear and multi-modal characteristics. In this study, we propose a novel metaheuristic algorithm called the learning search algorithm (LSA) to address the parameter estimation problem in solar PV models. LSA utilizes historical experience and social information to guide the search process, thus enhancing global exploitation capability. Additionally, it improves the learning ability of the population through teaching and active learning activities based on optimal individuals, which enhances local development capability. The algorithm also incorporates a dynamic self-adaptive control factor to balance global exploration and local development capabilities. Experimental results demonstrate that our proposed LSA outperforms other comparison algorithms in terms of accuracy, convergence rate, and stability in parameter identification of PV models. Statistical tests confirm the superior efficiency and effectiveness of the LSA in parameter estimation. Moreover, our algorithm demonstrates competitive performance in solving real-world optimization problems with constraints. Overall, our study contributes to the improvement of solar energy conversion efficiency through the development of an accurate parameter estimation model using the LSA.

太阳能被广泛认为是一种有前景且丰富的清洁电力来源。不幸的是,由于技术限制,使用光伏(PV)系统将太阳能转换为电力的效率还不令人满意。为了改进这一点,必须开发一个包含良好估计参数的准确模型。然而,PV模型中的参数识别过程由于其非线性和多模态特性而具有挑战性。在这项研究中,我们提出了一种新的元启发式算法,称为学习搜索算法(LSA),以解决太阳能光伏模型中的参数估计问题。LSA利用历史经验和社会信息来指导搜索过程,从而增强全球开发能力。此外,它通过基于最佳个体的教学和积极的学习活动提高了人口的学习能力,从而增强了当地的发展能力。该算法还结合了一个动态自适应控制因子,以平衡全球勘探和本地开发能力。实验结果表明,我们提出的LSA在PV模型参数识别的准确性、收敛速度和稳定性方面优于其他比较算法。统计测试证实了LSA在参数估计方面的优越性和有效性。此外,我们的算法在解决具有约束的真实世界优化问题方面表现出了竞争力。总的来说,我们的研究通过使用LSA开发准确的参数估计模型,有助于提高太阳能转换效率。
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引用次数: 0
Investigating electronic, optical, and structural properties of beryllium oxide zigzag nanotubes using DFT 用DFT研究氧化铍锯齿形纳米管的电子、光学和结构特性
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-10-04 DOI: 10.1007/s10825-023-02097-7
Mostafa Khosravi, Abbas Zarifi, Hojat Allah Badehian

In this study, we employ density functional theory and the Siesta code to investigate the electronic and optical properties of beryllium oxide (BeO) zigzag nanotubes (n,0) with n = 6, 8, 10, 12, 14, 16. Our research aims to elucidate the characteristics of BeO nanotubes and their potential applications. Notably, we found that the bandgap energy of BeO nanotubes increases with diameter, indicating superior conductivity in smaller-diameter nanotubes. Our findings align closely with experimental data, particularly when using the GGA-WC functional. Additionally, we calculated nanotube buckling decrease with diameter, revealing its negligible impact on these structures. The static refractive index of BeO nanotubes remains consistent at approximately 1.1, with an optical absorption peak around 9 eV. Our research offers valuable insights into the electronic and optical properties of BeO nanotubes, which have implications for various applications.

在本研究中,我们采用密度泛函理论和Siesta程序研究了氧化铍(BeO)Z字形纳米管(n,0)的电子和光学性质 = 6、8、10、12、14、16。我们的研究旨在阐明BeO纳米管的特性及其潜在应用。值得注意的是,我们发现BeO纳米管的带隙能量随着直径的增加而增加,这表明在较小直径的纳米管中具有优异的导电性。我们的发现与实验数据非常吻合,尤其是在使用GGA-WC函数时。此外,我们计算了纳米管屈曲随直径的减小,揭示了其对这些结构的影响可以忽略不计。BeO纳米管的静态折射率保持一致,约为1.1,光学吸收峰约为9eV。我们的研究为BeO纳米管的电子和光学性质提供了有价值的见解,对各种应用都有意义。
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引用次数: 0
Integral equation method for the 1D steady-state Poisson-Nernst-Planck equations 一维稳态Poisson-Nernst-Planck方程的积分方程方法
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-09-26 DOI: 10.1007/s10825-023-02092-y
Zhen Chao, Weihua Geng, Robert Krasny

An integral equation method is presented for the 1D steady-state Poisson-Nernst-Planck equations modeling ion transport through membrane channels. The differential equations are recast as integral equations using Green’s 3rd identity yielding a fixed-point problem for the electric potential gradient and ion concentrations. The integrals are discretized by a combination of midpoint and trapezoid rules, and the resulting algebraic equations are solved by Gummel iteration. Numerical tests for electroneutral and non-electroneutral systems demonstrate the method’s 2nd order accuracy and ability to resolve sharp boundary layers. The method is applied to a 1D model of the K(^+) ion channel with a fixed charge density that ensures cation selectivity. In these tests, the proposed integral equation method yields potential and concentration profiles in good agreement with published results.

提出了一维稳态Poisson-Nernst-Planck方程的积分方程方法,用于模拟离子在膜通道中的传输。使用格林第三恒等式将微分方程重新定义为积分方程,从而产生电势梯度和离子浓度的定点问题。积分通过中点和梯形规则的组合进行离散,并通过Gummel迭代求解得到的代数方程。对电中性和非电中性系统的数值测试证明了该方法的二阶精度和分辨尖锐边界层的能力。该方法应用于具有固定电荷密度的K(^+)离子通道的1D模型,以确保阳离子选择性。在这些测试中,所提出的积分方程方法产生的电势和浓度分布与已发表的结果非常一致。
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引用次数: 0
Electrothermal properties of 2D materials in device applications 器件应用中二维材料的电热特性
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-09-26 DOI: 10.1007/s10825-023-02091-z
Samantha Klein, Zlatan Aksamija

To continue downscaling transistors, new materials must be explored. Two-dimensional (2D) materials are appealing due to their thinness and bandgap. The relatively weak van der Waals forces between layers in 2D materials allow easy exfoliation and device fabrication but also result in poor heat transfer between layers and to the substrate, which is the main path for heat removal, resulting in self-heating and thermal degradation of mobility. This study explores the electrothermal properties of five popular 2D materials (MoS2, MoSe2, WS2, WSe2, and 2D black phosphorous). We simulate various devices with self-heating with a range of gate and drain biases and examine the effects on mobility and change in device temperature. The effects are compared to the isothermal case to ascertain the impact of self-heating. We observe that Joule heating has a significant effect on temperature rise, layerwise drain current, and effective mobility. We show that black phosphorous performs the best thermally, owing to its relatively high thermal conductance to the substrate, while WSe2 performs the best electrically. This study will inform future thermally aware designs of nanoelectronic devices based on 2D materials.

为了继续缩小晶体管的规模,必须探索新的材料。二维(2D)材料由于其薄和带隙而具有吸引力。在2D材料中,层之间相对较弱的范德华力允许容易剥离和器件制造,但也会导致层之间和基板之间的热传递较差,基板是除热的主要路径,导致自加热和迁移率的热降解。本研究探讨了五种流行的2D材料(MoS2、MoSe2、WS2、WSe2和2D黑磷)的电热特性。我们模拟了具有一定范围的栅极和漏极偏置的自加热的各种器件,并研究了对迁移率和器件温度变化的影响。将这些影响与等温情况进行比较,以确定自加热的影响。我们观察到焦耳加热对温度上升、层漏电流和有效迁移率有显著影响。我们发现,由于黑磷对衬底的导热性相对较高,因此其热性能最好,而WSe2的电学性能最好。这项研究将为未来基于2D材料的纳米电子器件的热感知设计提供信息。
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引用次数: 0
Bandstructure and quantum transport properties of AGNR unit cells with V-shaped edge patterning V形边缘图案化AGNR单元的能带结构和量子输运特性
IF 2.1 4区 工程技术 Q2 Mathematics Pub Date : 2023-09-25 DOI: 10.1007/s10825-023-02096-8
Bikramjit Basumatary, Agile Mathew

We investigate how the electronic and transport properties of six arm-chair graphene nanoribbon-based structures are modified with the introduction of symmetrical and asymmetrical geometrical V-cuts on their edges. A tight-binding model based on numerical non-equilibrium Green’s function method is used to compute the transport properties such as local density of states, transmission and current–voltage characteristics. We report the existence of nearly flat mid-bands for certain topologies after edge patterning. These bands give rise to non-zero transmission at low bias voltages. We uncover how this transmission varies with width, length, and biasing of the channel and also the temperature of the contacts. For structures in which flat mid-bands are absent, we show how their band gaps could be tuned by varying the width and length of the modified unit cells.

我们研究了六臂椅石墨烯纳米带结构的电子和传输特性是如何通过在其边缘引入对称和非对称几何V形切口来改变的。基于数值非平衡格林函数方法的紧束缚模型用于计算传输特性,如局域态密度、传输和电流-电压特性。我们报道了在边缘图案化之后,某些拓扑结构存在几乎平坦的中间带。这些频带在低偏置电压下产生非零传输。我们揭示了这种传输是如何随着通道的宽度、长度和偏置以及触点的温度而变化的。对于不存在平坦中间带的结构,我们展示了如何通过改变修饰的晶胞的宽度和长度来调节它们的带隙。
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引用次数: 0
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Journal of Computational Electronics
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