Journal of Computational Electronics最新文献

Design of a novel antimony-based solar cell by DFT and SCAPS simulation

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-28 DOI: 10.1007/s10825-025-02308-3

Xiaoyu Yu, Qiaoxia Gao

{"title":"Design of a novel antimony-based solar cell by DFT and SCAPS simulation","authors":"Xiaoyu Yu, Qiaoxia Gao","doi":"10.1007/s10825-025-02308-3","DOIUrl":"10.1007/s10825-025-02308-3","url":null,"abstract":"<div>Exploring novel light-harvesting materials with excellent optoelectronic properties is crucial for photovoltaic technology. In this work, we investigate the optoelectronic properties of antimony selenides Na3SbSe4 using first-principles calculations and evaluate their photovoltaic potential by device simulations. The hybrid functionals predict a direct band gap of approximately 1.7 eV and effective masses of 0.549 m0 for electron and 0.591 m0 for hole. The light absorption coefficient is estimated to reach 105 cm−1 in the visible light range. Based on the spectroscopic limited maximum efficiency method, the power conversion efficiency is predicted to approach 19.58% with a thickness of 0.5 µm for light-harvesting material, revealing the excellent photovoltaic properties of Na3SbSe4. Device simulations further confirm that the solar cell with a device configuration of ZnO/Na3SbSe4/PEDOT:PSS can achieve an efficiency of 16.45%. Moreover, increasing the thickness of the light-absorbing layer and controlling the defect concentration can improve efficiency. These results can be significant theoretical guidance for the development of novel optoelectronic materials.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143726642","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 plasma-assisted 2D graphene based solar cells

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-27 DOI: 10.1007/s10825-025-02301-w

Shreya Vasu, Shikha Singh, Suresh C. Sharma

{"title":"Modelling and simulation of plasma-assisted 2D graphene based solar cells","authors":"Shreya Vasu, Shikha Singh, Suresh C. Sharma","doi":"10.1007/s10825-025-02301-w","DOIUrl":"10.1007/s10825-025-02301-w","url":null,"abstract":"<div>A significant photovoltaic material for greater light energy conversion is graphene, mostly due to its exciting features including greater carrier mobility. By substituting a graphene layer for the \"hole transport layer\" (HTL), a perovskite solar cell's efficiency can be increased. This study demonstrates how growing graphene using the plasma-enhanced chemical vapor deposition (PECVD) technique affects the device efficiency. We use SCAPS-1D to build and simulate a model of ITO/PCBM/CsPbI3/graphene and use CsPbI3 as absorber, PCBM as the electron transport layer (ETL) and graphene as the HTL. The efficiency of solar cell and the plasma parameters are found to be numerically related, and the efficiency of the simulated model and the numerically computed efficiency are compared. Furthermore, it is discovered that increasing the electron and ion density of the graphene sheet causes the device's efficiency to decrease due to an inverse relationship with the Debye length, whereas increasing the electron and ion temperatures causes the device's efficiency to increase due to a linear relationship with the Debye length. This indicates that by adjusting the various plasma parameters at an ideal absorber layer and HTL thickness, the device's efficiency can be increased, improving its performance and practical applications. The obtained results have been verified from the previously done researches based on solar cells.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-025-02301-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707055","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

Design and performance optimization of a novel perovskite photodetector based on a bipolar heterojunction phototransistor

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2025-03-24 DOI: 10.1007/s10825-025-02307-4

Lingyan Lin, Linqin Jiang, Ping Li, Hao Xiong, Shui-Yang Lien, Donyin Chen, Xiaoyuan Lin, Heng Jiang, Baodian Fan, Yu Qiu

{"title":"Design and performance optimization of a novel perovskite photodetector based on a bipolar heterojunction phototransistor","authors":"Lingyan Lin, Linqin Jiang, Ping Li, Hao Xiong, Shui-Yang Lien, Donyin Chen, Xiaoyuan Lin, Heng Jiang, Baodian Fan, Yu Qiu","doi":"10.1007/s10825-025-02307-4","DOIUrl":"10.1007/s10825-025-02307-4","url":null,"abstract":"<div>Perovskite photodetectors have attracted great interest because of their excellent physical properties and the feasibility of low-cost manufacturing by printing processes. Among various types of photodetectors, phototransistors are usually characterized by superior gain due to their inherent amplification function. In the work, an n-SnO2/p-CH3NH3PbI3/n-CH3NH3PbI3 heterojunction bipolar phototransistor is proposed and numerical analyzed with Silvaco TCAD simulator for the first time. The influence of perovskite base and collector doping concentration, base thickness, and SnO2 emitter doping concentration are investigated to optimize the device performance. The simulation results indicate that properly reducing the perovskite base thickness and doping concentration will greatly enhance the emitter injection efficiency and spectral response. With higher collector doping concentration, the base–collector junction can form a higher electric field, which is conducive to producing a higher spectral response. Moreover, an enhanced emitter injection efficiency can be obtained with a higher SnO2 emitter doping concentration. Under realistic conditions, the device exhibits excellent performance with a high external quantum efficiency of 1.48 × 103% at 425 nm, a responsivity of 6.8 A/W at 650 nm and a detectivity is 1.63 × 1014 Jones at 650 nm under a low bias voltage of 0.8 V. Simulation result indicates that the proposed perovskite NPN heterojunction bipolar phototransistor is a promising architecture and will open a new path for the development of high-performance perovskite photodetector.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143688273","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 modeling of multi-color absorber based on periodic van der Waals heterostructures including TMDCs

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

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

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

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

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

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

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