Journal of Computational Electronics最新文献

{"title":"Role of metal–semiconductor contacts on the performance of (hbox {MoS}_2) field-effect transistor: an atomistic study","authors":"Ankur Garg,&nbsp;Somit Sharma,&nbsp;Avirup Dasgupta","doi":"10.1007/s10825-025-02309-2","DOIUrl":"10.1007/s10825-025-02309-2","url":null,"abstract":"<div><p>Selecting the perfect contact for the two-dimensional (2D) material-based field-effect transistor (FET) is a big challenge. The Schottky barrier arises at the metal–semiconductor contact interface from Fermi-level pinning (FLP) near the semiconductor conduction or valence band, a bottleneck in designing the FET structure. Therefore, metal–semiconductor contact is of great interest in understanding electronic device performance. This paper performs atomistic device simulations for optimal contact performance using titanium (Ti), molybdenum (Mo), gold (Au), and palladium (Pd) as a metal with monolayer <span>(hbox {MoS}_2)</span> as a channel region. The atomistic simulation includes density functional theory (DFT), maximally localized Wannier function (MLWF), and nonequilibrium Green’s function (NEGF) quantum transport for charge carriers. The FET device with Mo and Pd contact demonstrates <i>n</i>-type device characteristics, while Ti and Au show Schottky contact with <i>p</i>-type device behavior, respectively. In addition, the contact material with low work function demonstrates negative differential resistance (NDR) in the device output characteristics. Here, our study observed that the contact performance and device behavior can be completely predicted with the combination of FLP, orbital overlap, energy band diagram, and transmission spectrum. This study can be used to understand the contact performance for next technology nodes, which is still a critical issue in 2D material-based devices.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824618","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}

{"title":"A novel hybrid design methodology for EBG structures with application to mutual coupling reduction in antenna arrays","authors":"Abdelmalek Louaifi,&nbsp;Zineb Laieb,&nbsp;Youssef Lamhene","doi":"10.1007/s10825-025-02312-7","DOIUrl":"10.1007/s10825-025-02312-7","url":null,"abstract":"<div><p>This paper presents a novel methodology for designing electromagnetic bandgap (EBG) structures, employing a hybrid approach that integrates the direct transmission method with dispersion analysis to address the limitations of conventional single approach design frameworks relying solely on dispersion analysis. By combining these techniques, the method enables a comprehensive evaluation of bandgap characteristics of binary pattern generated through binary particle swarm optimization algorithm, resulting in two uniplanar EBG geometries that achieve significant lower bandgap frequency compared to conventional counterparts. To achieve precise bandgap alignment at the desired frequency, a linear optimization process with pixel segmentation is introduced. Experimental validation through integration into a dual-element microstrip antenna array confirms the designed EBG structure’s ability to reduce mutual coupling, highlighting their effectiveness in suppressing surface waves.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818215","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}

{"title":"Computational insight into the potential of tetraazapentacene as an active material in bulk-heterojunction solar cells","authors":"Pankaj Kumar Kushwaha,&nbsp;Vinay Sharma,&nbsp;Sunil Kumar Srivastava","doi":"10.1007/s10825-025-02315-4","DOIUrl":"10.1007/s10825-025-02315-4","url":null,"abstract":"<div><p>Bulk heterojunction (BHJ) organic solar cells (OSCs) represent a class of thin-film photovoltaic devices that harness the unique properties of organic semiconductors. Despite remarkable progress, BHJ OSCs still face challenges related to stability, scalability, and long-term performance. This paper presents a thorough and comprehensive computational exploration of the potential viability of tetraazapentacene (TAP) as an active material in BHJ solar cells, utilizing a synergistic approach that combines density functional theory (DFT) and TD-DFT calculations. Our study is centered on investigating the impact of molecular modifications by exchanging CH with nitrogen in the pentacene framework on the overall performance as well as electrical and optoelectronic properties. This approach provides meaningful design recommendations for TAP's usage in OSC applications. The series of TAP structures (with and without inversion symmetry) were analyzed to see the effect of nitrogen incorporation on energy levels, bandgap, reorganization energy, electron and hole delocalization, charge transfer, and charge carrier mobility. Our findings, as revealed by the electron density distribution map, electron delocalization analysis e.g., electron localization function, local orbital locator, transition density matrix, and frontier molecular orbital analysis, suggest that the TAP may allow easier electron injection owing to its lower LUMO level and high EA value. TDM analysis reveals that TAPs lacking inversion symmetry exhibit higher electron–hole coherence across the structure, resulting in efficient electron transport. Applying the Scharber model formalism and utilizing TAPs as donors and PCBM as acceptors in BHJ solar cells, the power conversion efficiency was estimated to be approximately ~ 28%.</p><h3>Graphical abstract</h3><p>This study explores the potential of Tetraazapentacene (TAP) as an active material in bulk heterojunction (BHJ) organic solar cells through Density Functional Theory (DFT) and TD-DFT analyses. By substituting CH groups with nitrogen in the pentacene framework, the impact on optoelectronic and electrical properties is examined. TAP structures lacking inversion symmetry demonstrate enhanced electron delocalization, increased electron affinity, and stronger electron–hole coherence, which collectively improve electron transport. Utilizing the Scharber model, with TAP as the donor and PCBM as the acceptor, the estimated power conversion efficiency (PCE) reaches approximately 28%.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809143","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}

{"title":"Effects of waveguide dimensions on split-core optical waveguide for dispersion and supercontinuum applications","authors":"V. Hitaishi,&nbsp;Jayakrishnan Kulanthaivel,&nbsp;Nandam Ashok","doi":"10.1007/s10825-025-02311-8","DOIUrl":"10.1007/s10825-025-02311-8","url":null,"abstract":"<div><p>This article presents the theoretical study of a novel chalcogenide optical waveguide. The core of waveguide consists of two D-shaped structures separated by a slab. The cladding is a rectangular slab containing a core within its dimensions. The chalcogenides GeAsSe and GeAsS are considered to be core and cladding of the waveguide, respectively. The dispersion effects and supercontinuum (SC) were calculated for various values of the radius of the top D-shaped core (<i>D</i>) and offset distance (<i>d</i>) from the right end of the bottom core. SC is generated by pumping 50 fs secant hyperbolic (sech) pulses at 1 kW peak power at 3.5 µm as a central wavelength. The maximum wide-spectrum, ranging from 2.2 to 6.5 µm was obtained for <i>D</i> = 1.7 µm and <i>d</i> = 0.4 µm. Increase in ‘<i>d</i>’ leads to a uniform intensity of output SC spectra with sacrificing a small amount of broadening. These results should be useful to create SC sources with uniform intensity as well as broad spectrum in the near to mid-infrared regions.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809295","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}

{"title":"Parameters identification of photovoltaic cell and module models based on the CSAO algorithm","authors":"Yiping Xiao,&nbsp;Haiyang Zhang,&nbsp;Honghao Wei,&nbsp;Chao Wang,&nbsp;Song Wu,&nbsp;Jun Shu","doi":"10.1007/s10825-025-02290-w","DOIUrl":"10.1007/s10825-025-02290-w","url":null,"abstract":"<div><p>Photovoltaic cell models involve nonlinear and complex parameters, and traditional identification methods often suffer from slow convergence and local optima issues, limiting their efficiency. Metaheuristic algorithms have been developed to enhance the accuracy and efficiency of parameter identification. This paper proposes a coati improved snow ablation optimization (CSAO) incorporating Weibull distribution and elite retention. First, a random probability mechanism combines the coati optimization algorithm with the basic snow ablation optimization, enhancing its global search capability. Second, a search mechanism based on Weibull distribution is incorporated to broaden the search range during local exploitation, helping to avoid falling into local optima. Finally, an elite retention strategy is added to accelerate convergence speed. The CSAO algorithm was evaluated using the CEC2017 benchmark function set. The CSAO algorithm was used for parameter identification of three photovoltaic models (single-diode, double-diode, and triple-diode) and three types of photovoltaic modules named Photowatt-PWP201, STM6-40/36, and STP6-120/36 respectively. Experimental results demonstrate that, compared to other algorithms, CSAO provides more accurate and stable parameter identification for photovoltaic cells and modules, along with faster convergence.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778157","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}

{"title":"Algebraic patterns, protocols, and pseudocode for a Quine–McCluskey minimization in lieu of the prime implicant chart","authors":"Elizabeth Abraham","doi":"10.1007/s10825-025-02278-6","DOIUrl":"10.1007/s10825-025-02278-6","url":null,"abstract":"<div><p>Digital gates are the basic electronic component of digital circuits. These circuits perform best when they are simplified as this directly leads to reducing the number of digital gates to implement a logical function, thereby reducing the circuit cost. To do this, Boolean expressions need to be optimally minimized. Karnaugh (K-map) and the Quine–McCluskey (Q–M) methods are well-known techniques to simplify Boolean techniques. K-map executions become complex for many valued functions. Comparatively, the Q–M method is a computer-based faster approach for logic function-based simplification. However, the Q–M method becomes intolerable for many valued logical functions along with its computational complexity and intensiveness simultaneously increasing. Hence, in this study an algebraic sum (A-sum) and cross-check sum (CCS) is proposed, primarily to aid in computationally efficient pairing of high numbered groups particularly for many valued logical functions and secondly to check the correctness of the paired groups as a manner to review the sanctity of the paired groups. In addition, broadly six postulates are proposed to forego the prime implicant chart in the Q–M method. In this study, the expounding of the prior through examples show that by reducing the number of computations from that which would be typically required of by the conventional Q–M method, the performance of the Q–M method is increased along with the reduction of the possibility of an error and an accurate minimization. The results can be expanded to an n-numbered logic function leading to more hardware efficient circuits. Moreover, the postulate approach is simpler, more efficient with less effort than with the use of the prime implicant tables. The proposed approach is a useful aid for both academics and industrialists where logic, digital and circuit design takes precedence at optimal performance.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 3","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-025-02278-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778158","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}

{"title":"Effect of filament regimes in the resistive switching behavior of oxide-based complementary memristor","authors":"Yunlai Zhu,&nbsp;Junjie Zhang,&nbsp;Xi Sun,&nbsp;Yongjie Zhao,&nbsp;Ying Zhu,&nbsp;Siqi Wang,&nbsp;Jun Wu,&nbsp;Zuyu Xu,&nbsp;Zuheng Wu,&nbsp;Yuehua Dai","doi":"10.1007/s10825-025-02306-5","DOIUrl":"10.1007/s10825-025-02306-5","url":null,"abstract":"<div><p>Oxide-based complementary memristor, derived from standard bipolar device, offers a promising solution to the challenge of sneak path currents in large-scale crossbar arrays. In this work, we investigate the impact of filament regimes on resistive behavior in tantalum oxide-based complementary memristor through finite element simulations. Our results reveal that the memristor exhibits bipolar resistive switching (BRS) characteristics within a voltage range of (-1.6 V, + 1.6 V) and transitions to a complementary resistive switching (CRS) over a broader voltage range (−1.8 V, + 1.8 V). In the CRS regime, increasing the radius of conductive filament (CF) from 5 to 10 nm and decreasing the CF length from 15 to 7.5 nm can enhance the <i>I</i>_on<i>/I</i>_off ratio by 23% and 15%, respectively, due to improved thermal effects. Conversely, reducing the CF radius to 1.2 nm or extending its length to 26 nm diminishes the internal thermal effects, affecting the CF and causing the device to exhibit BRS characteristics. Moreover, decreasing the <i>k</i>_th of electrodes can also improve the <i>I</i>_on<i>/I</i>_off of the complementary memristor. This research advances the understanding of the interconversion between BRS and CRS and offers strategies to improve the performance of complementary memristors.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749031","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}

{"title":"Design of a novel antimony-based solar cell by DFT and SCAPS simulation","authors":"Xiaoyu Yu,&nbsp;Qiaoxia Gao","doi":"10.1007/s10825-025-02308-3","DOIUrl":"10.1007/s10825-025-02308-3","url":null,"abstract":"<div><p>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 <i>m</i>₀ for electron and 0.591 <i>m</i>₀ 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.</p></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}

{"title":"Modelling and simulation of plasma-assisted 2D graphene based solar cells","authors":"Shreya Vasu,&nbsp;Shikha Singh,&nbsp;Suresh C. Sharma","doi":"10.1007/s10825-025-02301-w","DOIUrl":"10.1007/s10825-025-02301-w","url":null,"abstract":"<div><p>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.</p></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}

{"title":"Design and performance optimization of a novel perovskite photodetector based on a bipolar heterojunction phototransistor","authors":"Lingyan Lin,&nbsp;Linqin Jiang,&nbsp;Ping Li,&nbsp;Hao Xiong,&nbsp;Shui-Yang Lien,&nbsp;Donyin Chen,&nbsp;Xiaoyuan Lin,&nbsp;Heng Jiang,&nbsp;Baodian Fan,&nbsp;Yu Qiu","doi":"10.1007/s10825-025-02307-4","DOIUrl":"10.1007/s10825-025-02307-4","url":null,"abstract":"<div><p>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.</p></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}