Journal of Computational Electronics最新文献_第4页

Design and modeling of multi-color absorber based on periodic van der Waals heterostructures including TMDCs 基于周期性范德华异质结构（包括TMDCs）的多色吸收体设计与建模

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-20 DOI: 10.1007/s10825-025-02304-7

Hannaneh Dortaj, Samiye Matloub

{"title":"Design and modeling of multi-color absorber based on periodic van der Waals heterostructures including TMDCs","authors":"Hannaneh Dortaj, Samiye Matloub","doi":"10.1007/s10825-025-02304-7","DOIUrl":"10.1007/s10825-025-02304-7","url":null,"abstract":"<div>Absorbers based on two-dimensional transition metal dichalcogenide (TMDC) heterostructures with direct band gap have recently attracted great research attention in optoelectronic applications. In this study, we design a multi-color absorber using a multilayer periodic arrangement of van der Waals heterostructures, including different TMDC thin layers (MoSe2, MoS2, WSe2, and WS2) on SiO2 substrate. This newly emerging platform based on different compositions of TMDCs has been investigated to improve light absorption in the visible range. Multi-color detection can be achieved by combining distinct types of TMDCs with different layers. For instance, for two-color absorption, 3-layer-MoS2 and 1-layer-WSe2 have been located on the SiO2 substrate alternatively to form a periodic heterostructure. In this case, the absorption spectrum illustrates two narrow peaks at 520 nm (green) and 700 nm (red) wavelengths. For three-color absorption, 3-layer-WSe2 and 1-layer-WS2 have been deposited on SiO2 substrate alternatively, and the absorption spectrum displays three narrow peaks at 520 nm (green), 610 nm (orange), and 710 nm (red) wavelengths. Effects of the number of periods and the number of TMDC layers on the absorption spectrum have been investigated. As a result, the utilization of the periodic form of multilayer TMDCs demonstrates a high absorption peak of approximately 40% for distinct wavelengths within the visible range. This property can be employed in various optoelectronic devices and visible light communication.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Engineering the structural, electronic, and optical properties of the novel monolayer photoelectric semiconductor C2/m-SnX (X = P, as) via strain: a first-principles study 通过应变设计新型单层光电半导体C2/m-SnX （X = P, as）的结构、电子和光学特性：第一性原理研究

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-18 DOI: 10.1007/s10825-025-02302-9

Fen Li, Xiong-Fei Zhang, Ju-Qi Ruan, Yi-Fen Zhao, Kai Xiong, Yao He, Qing-Yuan Chen

{"title":"Engineering the structural, electronic, and optical properties of the novel monolayer photoelectric semiconductor C2/m-SnX (X = P, as) via strain: a first-principles study","authors":"Fen Li, Xiong-Fei Zhang, Ju-Qi Ruan, Yi-Fen Zhao, Kai Xiong, Yao He, Qing-Yuan Chen","doi":"10.1007/s10825-025-02302-9","DOIUrl":"10.1007/s10825-025-02302-9","url":null,"abstract":"<div>Driven by their outstanding optoelectronic properties, two-dimensional (2D) materials have attracted significant attention in solar cells, LEDs, and other optoelectronic fields. Besides, the strain effect has served as a powerful approach to enhance the optoelectronic performance of 2D materials. This study employs first-principles calculations to investigate the tunable optoelectronic properties of monolayer C2/m-SnX (X = P, As) materials under uniaxial/biaxial strains ranging from -10% to 10%. The results demonstrate that under uniaxial/biaxial strains ranging from -10% to 10%, the structure of C2/m-SnX (X = P, As) maintains good stability. Their electronic and optical properties can uphold semiconductive characteristics unchanged across the entire strain conditions. Under different strains, their mechanical and optical properties are anisotropic. All of the outcomes above attest to their favorable flexibility. In addition, their mechanical, electronic, and optical properties display different and regular patterns of change under the modulation of various strains. In our opinion, this study not only validates the potential of C2/m-SnX as a strain-tunable flexible semiconductor but also furnishes a theoretical basis and directive for the future application in practice, where the application of strain can enable targeted regulation of its mechanical and optoelectronics properties, thus transforming and broadening its performance manifestations.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design and analysis of novel D–π–A configuration dyes for dye-sensitized solar cells: a density functional theory study 染料敏化太阳能电池用新型D -π-A结构染料的设计与分析：密度泛函理论研究

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-17 DOI: 10.1007/s10825-025-02303-8

Bahaa A. Al-Fatlawe, Faeq A. AL-Temimei

{"title":"Design and analysis of novel D–π–A configuration dyes for dye-sensitized solar cells: a density functional theory study","authors":"Bahaa A. Al-Fatlawe, Faeq A. AL-Temimei","doi":"10.1007/s10825-025-02303-8","DOIUrl":"10.1007/s10825-025-02303-8","url":null,"abstract":"<div>This study explores the electronic, optical, and electrochemical properties of novel D–π–A organic dyes with different π-bridges using DFT and TD-DFT calculations, emphasizing their potential as efficient light harvesters. Geometric analysis shows that the dyes’ bond lengths and dihedral angles support intramolecular charge transfer, light absorption, and stability. The π-bridge improves electronic coupling, promoting conjugation and electron mobility. Frontier molecular orbital analysis reveals HOMO and LUMO levels aligned with TiO2 conduction band and the electrolyte's redox potential, ensuring efficient electron injection and dye regeneration. The dyes’ energy gaps (2.1151–2.5426 eV) enable effective visible-light absorption. Molecular orbital distribution supports charge separation for efficient donor-to-acceptor electron transfer. Global reactivity parameters indicate high stability and enhanced charge transfer capabilities. Molecular electrostatic potential and reduced density gradient analyses highlight charge distribution and non-covalent interactions that improve stability and electronic properties. UV–Vis spectra (543.021–624.762 nm) reveal enhanced light-harvesting efficiency via n → π* transitions enabled by the π-bridge. Electrochemical parameters, including oxidation potential and free energy changes, confirm their suitability for DSSCs. These dyes demonstrate significant potential for renewable energy applications, particularly in DSSCs.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modelling and simulation of TSV considering void and leakage defects 考虑空隙和泄漏缺陷的TSV建模与仿真

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-13 DOI: 10.1007/s10825-025-02300-x

Chao Liu, Gang Dong, Changle Zhi, Zhangming Zhu

引用次数: 0

Design and FEM analysis of split electrode SAW sensor for volatile organic compound gases based on CNT/MoS2 composite for biomarker applications 基于CNT/MoS2复合材料的生物标志物挥发性有机化合物气体劈裂电极SAW传感器设计与有限元分析

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-12 DOI: 10.1007/s10825-025-02296-4

Dhananjaya Panda, Koteswara Rao Peta

{"title":"Design and FEM analysis of split electrode SAW sensor for volatile organic compound gases based on CNT/MoS2 composite for biomarker applications","authors":"Dhananjaya Panda, Koteswara Rao Peta","doi":"10.1007/s10825-025-02296-4","DOIUrl":"10.1007/s10825-025-02296-4","url":null,"abstract":"<div>Volatile organic compound (VOC) gases can act as biomarkers for early-stage cancer detection. For this purpose, the detection of VOCs at low ppm levels is critical. To achieve this goal, this study presents a surface acoustic wave (SAW)-based VOC sensor with a composite nanostructure consisting of carbon nanotubes (CNT) and molybdenum disulfide (MoS2) as sensing material. The gas-sensing performance of two models based on CNT and CNT-MoS2 sensing layers was investigated for ten types of VOCs at levels of 10–100 ppm at room temperature. The 2D SAW sensor model was designed and analyzed using the finite-element method (FEM)-based COMSOL Multiphysics 6.0 software. These two-port SAW devices were constructed using a 128° Y-cut LiNbO3 substrate with aluminum as interdigital transducers (IDTs). In the first model (M1), CNT was used as a sensing layer with a resonant frequency of 905.27 MHz, and the second model (M2) used a CNT-MoS2 sensing layer with a resonant frequency of 901.89 MHz. The shift in the resonant frequencies and their respective sensitivity with the presence of VOC gases was calculated. The greatest shift in frequency among gases in both models was found for 2-propanol, with 724.1 Hz/ppm for M1 and 1605.5 Hz/ppm for M2. In addition, the composite device M2 displayed superior selectivity (1630.1 Hz/ppm) to ethanol. The higher sensitivity of M2 may be due to the efficient adsorption of VOC gas molecules on the surface of the CNT-MoS2 nanocomposite, which has a larger specific surface area and provides more active sites, resulting in a greater change in the device resonant frequency due to the mass loading effect.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143602102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Characteristics of a V-shaped rectenna for 28.3 THz energy harvesting 用于28.3 THz能量收集的v形整流天线的特性

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-05 DOI: 10.1007/s10825-025-02295-5

Aboubacar Savadogo, Thomas Nyachoti Nyangonda, Bernard Odhiambo Aduda, Uli Lemmer, Mohamed Hussein

{"title":"Characteristics of a V-shaped rectenna for 28.3 THz energy harvesting","authors":"Aboubacar Savadogo, Thomas Nyachoti Nyangonda, Bernard Odhiambo Aduda, Uli Lemmer, Mohamed Hussein","doi":"10.1007/s10825-025-02295-5","DOIUrl":"10.1007/s10825-025-02295-5","url":null,"abstract":"<div>A rectenna structure based on a potentially printable V-shaped nanoantenna (VSNA) design is introduced and numerically analyzed. The characteristics of the VSNA structure have been investigated through the electric field enhancement and radiation efficiency used as figures of merit to evaluate its performance. A comparative study has been performed between the VSNA and a conventional dipole THz antenna based on the same dimension constraints. Therefore, the VSNA has shown better and more localized field enhancement at the arm tips. Furthermore, an optimization process has been carried out to maximize the electric field at the resonance frequency (28.3 THz). The suggested design offers more than 300% improvement in electric field confinement compared to a conventional dipole antenna at 28.3 THz. This enhancement is attributed to the tip-to-tip geometry, leading to a highly localized field at the tip. Further, the optimized VSNA design is employed to form a rectenna structure by inserting an ultra-thin insulator layer between the tips of the antenna arms. The reported rectenna structure increases total efficiency from 11 to 26.58%, with a 141% improvement over previously reported work. Beyond the potentialities presented by the proposed design, its simplicity makes it manufacturable for efficient energy harvesting applications. Finally, the metal–insulator–metal (MIM) diode rectification capabilities have been investigated through a quantum mechanical simulator (built on MATLAB software) with aluminum oxide (Al2O3) as an insulator sandwiched between gold (Au) and silver (Ag). The suggested MIM diode (Au/Al2O3/Ag) offers a zero–bias responsivity of 0.93 A/W, which is higher than the previous work based on Al2O3 which was 0.5 A/W.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-025-02295-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Iterative methods for solving g-functions: a review, comparative evaluation, and application in the solar cell domain 求解g函数的迭代方法：综述、比较评价及其在太阳能电池领域的应用

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-04 DOI: 10.1007/s10825-025-02298-2

Martin Calasan

{"title":"Iterative methods for solving g-functions: a review, comparative evaluation, and application in the solar cell domain","authors":"Martin Calasan","doi":"10.1007/s10825-025-02298-2","DOIUrl":"10.1007/s10825-025-02298-2","url":null,"abstract":"<div>The voltage–current characteristics of solar cell models, regardless of the equivalent circuits used, are nonlinear functions that can be mathematically represented by the g-function. Computational modeling plays a key role in solving such complex functions, enabling accurate simulations and efficient solutions that are essential for optimizing solar cell performance. This paper first provides a comprehensive overview and comparative evaluation of several iterative methods used to solve the g-function. Next, the accuracy of these iterative methods across both positive and negative values of the functional argument is assessed. The number of iterations required to achieve the desired accuracy is then analyzed, along with the influence of accuracy on the number of iterations. Additionally, the computation times of all the observed methods are examined, along with the impacts of the initial values on the required number of iterations. Finally, the paper demonstrates the application of the proposed iterative methods for voltage calculations within a single-diode model of solar cells. The findings suggest that the Halley iterative method demonstrates superior efficiency, requiring fewer iterations for accurate results and lower computation time, whereas the Newton and Ostrowski methods yield similar performance. MATLAB codes for each iterative method discussed are provided, ensuring their applicability for addressing various engineering challenges related to the g-function.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of non-metal doping and biaxial strain on the photovoltaic characteristics of monolayer 1T-PtSe2 非金属掺杂和双轴应变对单层1T-PtSe2光电特性的影响

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-02-28 DOI: 10.1007/s10825-025-02299-1

Yao Dong, Lu Yang, Jinlin Bao, Huaidong Liu, Yanshen Zhao, Xingbin Wei, Shihang Sun

{"title":"Influence of non-metal doping and biaxial strain on the photovoltaic characteristics of monolayer 1T-PtSe2","authors":"Yao Dong, Lu Yang, Jinlin Bao, Huaidong Liu, Yanshen Zhao, Xingbin Wei, Shihang Sun","doi":"10.1007/s10825-025-02299-1","DOIUrl":"10.1007/s10825-025-02299-1","url":null,"abstract":"<div>In this paper, the optoelectronic performance of monolayer 1T-PtSe2 materials under doping and biaxial tensile strain are investigated, with a focus on the impact of doping with second-period non-metal elements on the optoelectronic properties of the materials. By calculating the formation energy of each dopant system, it was found that the stability of each dopant system is in the order of Ne < F < N < O. The band gap of O-doped system is reduced, and the valence band of the N-doped system crosses the Fermi energy level. The forbidden bandwidth of the monolayer 1T-PtSe2 decreases with increasing applied biaxial strain and reaches a minimum when the strain reaches − 8%, and the nature of the bandgap remains as an indirect bandgap. When the photon energy reaches 4 eV, the absorption peak of the N-doped system is significantly enhanced. The compressive strain resulted in an elevated absorption peak in the monolayer 1T-PtSe2 system. This result provides a valuable reference for the potential application of this material in microelectronics and optics.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling of effective mobility in 3D NAND flash memory with polycrystalline silicon channel 基于多晶硅通道的3D NAND闪存有效迁移率建模

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-02-28 DOI: 10.1007/s10825-025-02293-7

Juhyun Kim, Hyungcheol Shin

{"title":"Modeling of effective mobility in 3D NAND flash memory with polycrystalline silicon channel","authors":"Juhyun Kim, Hyungcheol Shin","doi":"10.1007/s10825-025-02293-7","DOIUrl":"10.1007/s10825-025-02293-7","url":null,"abstract":"<div>In this paper, based on exponentially distributed trap density of states (DOS) for grain boundary, a solution to effective mobility (μeff) is derived. Within the model, an effective width of grain boundary (GB) depletion region (LGB.eff) and drain induced grain barrier lowering effect on GB barrier height (ψB), is considered. The μeff model is then verified with μeff extracted from simulation. To this end, a computer aided design simulation is calibrated against the experimental data and μeff is then calculated from the simulated channel current. The μeff model is compared with calculated μeff to validate the model and a good agreement between them is achieved. In addition, we also investigate the dependence of μeff on GB DOS parameters and device temperature. The same validation process is also performed at various GB locations and angles to analyze the effect of GB shape on μeff.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An efficient computational model for single-molecule optoelectronic devices 单分子光电器件的高效计算模型

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-02-27 DOI: 10.1007/s10825-025-02287-5

Alberto Bottacin, Fabrizio Mo, Chiara Elfi Spano, Yuri Ardesi, Gianluca Piccinini, Mariagrazia Graziano

{"title":"An efficient computational model for single-molecule optoelectronic devices","authors":"Alberto Bottacin, Fabrizio Mo, Chiara Elfi Spano, Yuri Ardesi, Gianluca Piccinini, Mariagrazia Graziano","doi":"10.1007/s10825-025-02287-5","DOIUrl":"10.1007/s10825-025-02287-5","url":null,"abstract":"<div>The growing interest in tuning the conduction properties of single-molecule junctions has drawn attention to studying their interaction with incident electromagnetic fields. The theoretical complexity of this problem necessitates the use of nonequilibrium statistical mechanics combined with quantum electrodynamics, leading to extremely time-consuming simulations. In this work, we propose a computationally efficient algorithm, which combines EE-BESD—an efficient and effective simulator of current–voltage characteristics in dark conditions—with approximated models for light interaction, specifically the Tien-Gordon and Floquet models. We validate EE-BESD-PAT through comparison with ab initio calculations and experimental data from the literature. Our computational model demonstrates good agreement with both experimental and density functional theory calculations, demonstrating that the proposed method is a promising computationally efficient tool without sacrificing accuracy.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-025-02287-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0