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><p>In this paper, the optoelectronic performance of monolayer 1T-PtSe<sub>2</sub> 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-PtSe<sub>2</sub> 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-PtSe<sub>2</sub> system. This result provides a valuable reference for the potential application of this material in microelectronics and optics.</p></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}
{"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><p>In this paper, based on exponentially distributed trap density of states (DOS) for grain boundary, a solution to effective mobility (<i>μ</i><sub><i>eff</i></sub>) is derived. Within the model, an effective width of grain boundary (GB) depletion region (<i>L</i><sub><i>GB.eff</i></sub>) and drain induced grain barrier lowering effect on GB barrier height (<i>ψ</i><sub><i>B</i></sub>), is considered. The <i>μ</i><sub><i>eff</i></sub> model is then verified with <i>μ</i><sub><i>eff</i></sub> extracted from simulation. To this end, a computer aided design simulation is calibrated against the experimental data and <i>μ</i><sub><i>eff</i></sub> is then calculated from the simulated channel current. The <i>μ</i><sub><i>eff</i></sub> model is compared with calculated <i>μ</i><sub><i>eff</i></sub> to validate the model and a good agreement between them is achieved. In addition, we also investigate the dependence of <i>μ</i><sub><i>eff</i></sub> 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 <i>μ</i><sub><i>eff</i></sub>.</p></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}
{"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><p>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.</p></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}
{"title":"Quantum-dot cellular automata serial decimal digit multiplier","authors":"Michael Gladshtein","doi":"10.1007/s10825-025-02279-5","DOIUrl":"10.1007/s10825-025-02279-5","url":null,"abstract":"<div><p>The quantum-dot cellular automata (QCA) technology is considered as a possible nanoelectronic technology for future computing facilities. The leading role of QCA wires makes it preferable for serial data transfer/processing. Many modern computer applications require direct processing of decimal information without representation and conversion errors. The main purpose of the research is to design a novel QCA serial decimal digit multiplier. A QCA wire can be considered as a virtual tape with written binary symbols. The designed multiplier uses the Turing machine run-time multiple tapes reconfiguration to multiply two decimal digits encoded in the 5-bit Johnson–Mobius code. The proposed multiplier has successfully passed verification. In comparison with possible QCA BCD multipliers, it shows significant hardware simplification.</p></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/s10825-025-02279-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513389","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":"Dual-polarization controllable terahertz wave metasurface","authors":"Jiu-Sheng Li, Feng-Lei Guo, Ri-Hui Xiong","doi":"10.1007/s10825-025-02294-6","DOIUrl":"10.1007/s10825-025-02294-6","url":null,"abstract":"<div><p>Metasurfaces can flexibly regulate terahertz wave, but most of reported results are limited to single polarized terahertz wavefront manipulation. In this article, the propose metasurface can manipulate linearly polarized and circularly polarized terahertz waves. It consists of five metal layers (namely metal rectangular bars, metal rings, two orthogonal metal gratings, and I-shaped metal layers) separated by four polyimide dielectric layers. For circularly polarized wave incidence, the metasurface generates vortex beams with topological charges of <i>l</i> = ± 1 and <i>l</i> = ± 2 at frequency of 1.2 THz. In addition, the metasurface achieves “T” shaped near-field image at 0.931 THz. Under linearly polarized wave incidence, the metasurface produces polarization conversion with a conversion ratio over 98% within the frequency range of 0.6–0.8 THz. The proposed structure has potential application prospects in terahertz wave multi-polarized manipulation in future terahertz wireless communication.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496811","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":"Investigation of stability parameters of a gate-stack junctionless double-gate transistor (GS-JLDGT)-based 6T and 3T SRAM in the presence of traps","authors":"Neha Garg, Yogesh Pratap, Sneha Kabra","doi":"10.1007/s10825-025-02285-7","DOIUrl":"10.1007/s10825-025-02285-7","url":null,"abstract":"<div><p>In light of the continuously rising demand for portable handheld devices in day-to-day life and in specific applications such as biomedical systems (blood pressure monitors, pacemakers, and hearing aids), stable digital systems with low area and power consumption are required. Static random-access memory (SRAM) is a fundamental component of digital systems, and hence stable and efficient design of SRAM is critical. This paper reports on the stability and reliability of a SRAM device designed using a gate-stack junctionless double-gate transistor (GS-JLDGT). The proposed GS-JLDGT is used to implement a six-transistor (6T) SRAM, and the GS-JLDGT structure is then modified by adding an oxide layer in the middle and utilized to design a 3T SRAM. As a result, the area occupied by the proposed 3T SRAM is reduced by almost half as compared to a conventional 6T SRAM layout. The reliability assessment of the designed SRAM is carried out by the inclusion of interface trap charges at the oxide–semiconductor interface. The results show that the presence of the interface trap charges leads to degradation in the voltage transfer curve (VTC) and hence significant deviations in various stability parameters, including the retention noise margin (RNM), static noise margin (SNM), static voltage noise margin (SVNM), static current noise margin (SINM), write trip voltage (WTV), and write trip current (WTI) of the device. In addition, the impact of temperature variation along with trap charges is investigated with respect to the stability of the GS-JLDGT-based 6T SRAM. The results indicate that as the temperature increases, distortion due to trap charges also increases significantly.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143489557","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}
Masoumeh Tirgar Fakheri, Mohammad A. Tehrani, Keivan Navi
{"title":"A novel two-input NOR logic gate using a dual-gate field effect transistor based on an OPE molecule","authors":"Masoumeh Tirgar Fakheri, Mohammad A. Tehrani, Keivan Navi","doi":"10.1007/s10825-025-02297-3","DOIUrl":"10.1007/s10825-025-02297-3","url":null,"abstract":"<div><p>Nanotechnology has revolutionized circuit design by enabling highly efficient and compact components. Central to this innovation is the two-input NOR logic gate, a universal element in logic circuits that facilitates the construction of diverse logic configurations. Its versatility plays a pivotal role in digital logic design, particularly within the realm of molecular transistor technology, where miniaturization and efficiency are paramount. In this paper, a novel device is presented based on the Oligo (phenylene ethynylene) (OPE) molecule. OPE molecules offers significant advantages in digital circuits due to their superior electronic properties, nanoscale size, self-assembling capabilities, and tunable characteristics. By leveraging this intriguing feature of the proposed dual-gate molecular transistor, a two-input NOR logic gate is realized. The study employs advanced simulation techniques, including Non-Equilibrium Green’s Function formalism and density functional theory, to model quantum transport properties. Insights gained from these simulations elucidate the performance and reliability of molecular transistors under varying operational conditions, advancing our understanding of their potential in future nanoelectronics applications.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481052","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}
Rabia Shakeel, Raheela Sharafat, Ume Salma, Shaimaa A. M. Abdelmohsen, Haifa A. Alyousef, Javed Iqbal
{"title":"Peripheral modifications of DTP-C6TH to attain dopant-free hole transporting materials of efficient photovoltaic properties","authors":"Rabia Shakeel, Raheela Sharafat, Ume Salma, Shaimaa A. M. Abdelmohsen, Haifa A. Alyousef, Javed Iqbal","doi":"10.1007/s10825-025-02286-6","DOIUrl":"10.1007/s10825-025-02286-6","url":null,"abstract":"<div><p>Perovskite solar cells (PSCs) possess high potential to generate electricity. As, hole transport material (HTM) is the main factor of concern so, in current study, with the purpose of improving power efficiency ratio of PSCs, a series of five novel molecules, namely DTP1, DTP2, DTP3, DTP4 and DTP5 have been created computationally by structural modifications of dithieno [3,2-b:2′,3′-d]pyrol cored (DTP-C6TH) HTM. Five different electron-deficient acceptor moieties are substituted at the peripheral sites of the reference molecule (DTP-C6TH). To predict the efficiency of these newly fabricated molecules, their optoelectronic characteristics have been investigated by using MPW1PW91 DFT approach coupled to the basis set 6-31G (d, p). All structures are optimized by executing same DFT method by frontier molecular orbitals (FMOs) evaluations has been performed which suggests an excellent charge transport rate in all fabricated molecules (DTP1-DTP5). Further, density of states was studied that describes the involvement of all segments of recently designed molecules in the synthesis of molecular orbitals HOMO and LUMO. Results illustrate the energy gap estimations pertaining formulated molecules are significantly reduced relative to reference molecule (2.99 eV) with sequence of DTP5 = 2.29 eV > DTP1 = 2.11 eV > DTP2 = 2.04 > DTP3 = 1.93 eV > DTP4 = 1.73 eV. Absorption spectrum has been analyzed and a red shift in the wavelength is perceived in all designed molecules (532–739 nm). Transition density matrix evaluations TDM, reorganizational energies (RE), open circuit voltage <i>V</i><sub>oc</sub> and power conversion efficiency (PCE) for all architecture molecules have been computed and it is concluded from the outcomes that these newly planned molecules possess efficient opto-electronic properties with enhanced PCE of up to 24.3% and can be used in future as HTMs for application in Perovskite solar cells.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481088","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}
Alamgeer, Muhammad Quddamah Khokhar, Hasnain Yousuf, Rafi Ur Rahman, Polgampola Chamani Madara, Mengmeng Chu, Muhammad Tahir, Sangheon Park, Junsin Yi
{"title":"Improved passivation and antireflection techniques for higher-efficiency Interdigitated Back Contact (IBC) solar cells","authors":"Alamgeer, Muhammad Quddamah Khokhar, Hasnain Yousuf, Rafi Ur Rahman, Polgampola Chamani Madara, Mengmeng Chu, Muhammad Tahir, Sangheon Park, Junsin Yi","doi":"10.1007/s10825-025-02289-3","DOIUrl":"10.1007/s10825-025-02289-3","url":null,"abstract":"<div><p>In this article, we simulated the Interdigitated Back Contact (IBC) solar cell using Quokka3 simulation, highlighting a detailed approach to front and back passivation and sheet resistance that significantly enhances cell performance. The antireflective coating (ARC) and the front passivation layer, after fine-tuning variation of recombination current density <i>J</i><sub>0</sub> (fA/cm<sup>2</sup>), dictate the recombination losses at these interfaces, therefore playing a critical role on cell efficiency. The rear passivation layer complements the front in mitigating recombination to optimize light capture within the silicon wafer. When the emitter fraction is approximately 40% at 100 Ω/Sq, the rear boron sheet resistance showed the enhanced <i>V</i><sub>oc</sub>, <i>J</i><sub>sc</sub>, FF, and η as 719.2 mV, 41.66 mA/cm<sup>2</sup>, 84.71%, and 25.2%. These results demonstrate how <i>J</i><sub>0</sub> and rear boron area variability, influenced by both front and back passivation, affects the FF and η of the IBC cell. Furthermore, variations in the bulk lifetime of crystalline silicon (c-Si), resistivity of the wafer, and rear boron sheet resistance (<i>R</i><sub>sh</sub>) offer pathways to improve overall cell performance.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143475136","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":"Transfer learning-based parameter optimization for improved 3D NAND performance","authors":"Dibyadrasta Sahoo, Ankit Gaurav, Sanjeev Kumar Manhas","doi":"10.1007/s10825-025-02292-8","DOIUrl":"10.1007/s10825-025-02292-8","url":null,"abstract":"<div><p>Process variation leads to variability in key device parameters such as plug separation, recess depth, epi-plug doping, and epi-plug height, which play a vital role in 3D NAND performance during scaling. Machine learning (ML) offers an alternate approach to predict and optimize performance by analyzing variable nonlinearity. However, in recent work, device optimization has been done over a narrow range, resulting in local rather than global optima. Additionally, these methods rely on extensive datasets, which increase costs and reduce the practicality of TCAD-ML models. This paper uses transfer learning to optimize the above parameters by integrating a long short-term memory (LSTM) model with the JAYA optimization algorithm. This approach considers a wide range of device parameters for optimization. By training on well-calibrated TCAD-generated data, we achieve an impressive accuracy rate of 98.5% in forecasting the values of threshold voltage (<i>V</i><sub>th</sub>), on current (<i>I</i><sub>on</sub>), subthreshold swing (SS), and transconductance (<i>g</i><sub><i>m</i></sub>). Our results reveal that the LSTM uses fewer datasets and outperforms feedforward neural networks with a performance improvement of 67%. Further, we achieve a mean-squared error of 0.217 using the JAYA optimization algorithm.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 2","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471971","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}