Journal of Computational Electronics最新文献

{"title":"Theoretical calculations of the optoelectronic properties of a penta-graphene monolayer: study of many-body effects","authors":"B. Minaie,&nbsp;S. A. Ketabi,&nbsp;J. M. De Sousa","doi":"10.1007/s10825-024-02208-y","DOIUrl":"10.1007/s10825-024-02208-y","url":null,"abstract":"<div><p>Based on density functional theory (DFT), the GW approximation and Bethe–Salpeter equation (BSE), we performed a theoretical calculation to study the electronic and optical properties of penta-graphene (PG) monolayers. Our findings reveal that PG behaves as a semiconductor with an indirect band gap of 2.27 eV at the DFT-GGA level. By incorporating the GW approximation based on many-body perturbation theory, we observed an increase in the band gap, resulting in a quasi-direct band gap of 4.53 eV. Furthermore, we employed the G₀W₀-RPA and G₀W₀-BSE approximations to compute the optical spectra of the monolayer in the absence and in the presence of electron–hole interaction, respectively. The results indicate that the inclusion of electron–hole interactions leads to a red-shift of the absorption spectrum towards lower energies compared to the spectrum obtained from the G₀W₀-RPA approximation. Notably, the optical absorption spectra are predominantly governed by the first bound exciton, characterized by a significant binding energy of 2.07 eV. Our results suggest that the PG monolayer, with its wider band gap and enhanced excitonic effects, is potentially a suitable candidate for the design and fabrication of optoelectronic components.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1102 - 1110"},"PeriodicalIF":2.2,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141885948","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 new behavioral-level model of superconducting Josephson junctions with Simulink","authors":"Yalin Zhong,&nbsp;Peng Chen","doi":"10.1007/s10825-024-02206-0","DOIUrl":"10.1007/s10825-024-02206-0","url":null,"abstract":"<div><p>Josephson junctions based on superconducting materials are fundamental components for quantum detection, quantum communication and quantum computers. An accurate behavioral model of Josephson junctions is the prerequisite for predicting the response (or the behavior) of various superconducting circuits. In this study, we present a resistively and capacitively shunted junction model-based behavioral-level model for the current–voltage characteristics of Josephson junctions. This model accurately predicts the current–voltage characteristics and their temperature dependencies of Josephson junctions made of different materials under three typical working modes: underdamped voltage-driven, overdamped current-driven, and underdamped current-driven. Additionally, it forecasts the critical current and superconducting energy gap characteristics with respect to temperature, as well as the constraint relationship between the shunt resistance, superconducting energy gap, and critical current. Comparing the measured data with the simulation predictions, the model has an average accuracy of 89.28<span>(%)</span>, which demonstrate its reliability.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1091 - 1101"},"PeriodicalIF":2.2,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141930497","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":"Precise parameter estimation of PEM fuel cell via weighted mean of vectors optimizer","authors":"Badis Lekouaghet,&nbsp;Mohammed Amin Khelifa,&nbsp;Abdelkrim Boukabou","doi":"10.1007/s10825-024-02204-2","DOIUrl":"10.1007/s10825-024-02204-2","url":null,"abstract":"<div><p>This paper deals with the determination of the optimal values to be given for the seven unknown parameters of the proton exchange membrane fuel cell (PEMFC). To this end, the weighted mean of vectors optimizer (INFO) metaheuristic algorithm is applied to estimate these parameters by minimizing the sum of squared errors (SSEs) between the measured and calculated voltages of the PEMFC. Three commercial types of PEMFCs are investigated: (i) BCS 500 W Stack, (ii) NedStack PS6 Stack, and (iii) Horizon 500 W Stack. The accuracy of the applied INFO algorithm is verified by comparing the estimated voltage–current <span>((I-V))</span> characteristics with the measured data. Furthermore, the estimated parameters of electrical PEMFCs, the minimum reached SSE, and the standard deviation Std values achieved by INFO are compared with the results obtained using other competitive metaheuristic optimization algorithms such as Honey badger algorithm, Gradient-based optimizer, Harris hawks optimization, and others. From the obtained results, the convergence curves show that the unknown parameters of the three PEMFCs are better estimated using the proposed INFO than other algorithms.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1039 - 1048"},"PeriodicalIF":2.2,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141885949","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":"Study of chalcogenide-based metal perovskites BaZrX3 (X = S and Se): DFT insight into fundamental properties for sustainable energy generation using AMPS-1D","authors":"Naincy Pandit,&nbsp;Rashmi Singh,&nbsp;Peeyush Kumar Kamlesh,&nbsp;Nitin Kumar,&nbsp;Pawan Sharma,&nbsp;Sarita Kumari,&nbsp;Tanuj Kumar,&nbsp;Samah Al-Qaisi,&nbsp;Ajay Singh Verma","doi":"10.1007/s10825-024-02201-5","DOIUrl":"10.1007/s10825-024-02201-5","url":null,"abstract":"<div><h3>Context</h3><p>Emerging materials inspire us to study one of the perovskite chalcogens made from alkaline-earth-metals (Baryum). Here, we have determined some fundamental properties and explained their applicability in energy conversion device fabrication by first principles calculation. These materials show direct bandgap for BaZrS₃and BaZrSe₃ 1.83 eV and 1.3 eV (at symmetry pointΓ), respectively; Elastic parameters like as Pugh ratio B/G ~ 1.75 and 1.78 for BaZrS₃and BaZrSe₃, respectively and have broader visible absorption spectrum with mechanically stable. The absorption coefficient is greater than 105 cm⁻¹ at photon energy 1.83 eV for BZS and 1.3 eV for BZSe. For photovoltaic application, electron transport layer (ETL) has been varied, while putting hole transport layer (HTL) for the findings of efficiency, and ZnO is proven with 21.97% efficiency. This emerging study shows that these materials may be used as an alert substance in energy conversion device fabrications and the proposed outcomes are in good acceptance with the experimental and other theoretical data. As per the optical and thermoelectric parameters of these materials, we infer that both are promising candidates in energy conversion devices.</p><h3>Methods</h3><p>Fundamental properties based on the full-potential linearized augmented plane wave (FP-LAPW) method, this computation was performed using the WIEN2k simulation code. In order to calculate the photovoltaic properties of semiconducting perovskites, it is one of the most reliable methods. For application point of view, the Microelectronic and Photonic Structures-one-dimensional (AMPS-1D) analysis tool has been used for simulation of photovoltaic devices. There are several critical absorbance parameters, including band gap, defect density, thickness, concentration of doping, and operating temperature, that have been taken into consideration. </p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1014 - 1028"},"PeriodicalIF":2.2,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141867919","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":"Nonlinear dynamics of a Josephson junction coupled to a diode and a negative conductance","authors":"M. A. Kakpo,&nbsp;C. H. Miwadinou","doi":"10.1007/s10825-024-02200-6","DOIUrl":"10.1007/s10825-024-02200-6","url":null,"abstract":"<div><p>We studied the nonlinear dynamics of a shunted inductive Josephson junction coupled to a diode and a negative conductance. Taking into account the non-harmonicity of the junction, based on Kirchhoff’s laws, we have developed the mathematical model which governs the dynamics of the circuit. The fixed points of the system are determined, and their stabilities are analyzed using the Routh–Hurwitz criterion. The bifurcation and transition to chaos of the model are studied using the the fourth-order Runge–Kutta method; the system displays a rich dynamics. The range of values of each parameter leading to periodic and chaotic electrical oscillations is obtained through the analysis of the effect of these parameters on each type of dynamics. Finally, the implementation by microcontroller is carried out in order to experimentally verify the different dynamics obtained numerically.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1000 - 1013"},"PeriodicalIF":2.2,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141867920","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 semi-classical Floquet-NEGF approach to model photon-assisted tunneling in quantum well devices","authors":"Nathan De Sutter,&nbsp;Emile Vanderstraeten,&nbsp;Dries Vande Ginste","doi":"10.1007/s10825-024-02203-3","DOIUrl":"10.1007/s10825-024-02203-3","url":null,"abstract":"<div><p>The non-equilibrium Green’s function formalism is often employed to model photon-assisted tunneling processes in opto-electronic quantum well devices. For this purpose, self-consistent schemes based on a quantum electrodynamical description of light–matter interactions have been proposed before. However, these schemes are typically computationally very demanding. Therefore, in this work, a novel semi-classical method based on Floquet–Green theory is proposed, which strongly mitigates the computational costs. By comparison to results obtained with a traditional, purely quantum mechanical technique, the new approach is validated, shown to be faster, and exhibits superior convergence properties. Finally, a two-band model for superlattice structures is constructed to further illustrate the advantages of the novel, advocated method.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 6","pages":"1148 - 1161"},"PeriodicalIF":2.2,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141771193","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":"Investigating the potential of germanene in solar cells: a simulation study on a-SiGe/c-Si structure","authors":"Arash Madmeli,&nbsp;Kiarash Madmeli,&nbsp;Jabbar Ganji","doi":"10.1007/s10825-024-02199-w","DOIUrl":"10.1007/s10825-024-02199-w","url":null,"abstract":"<div><p>Utilizing the two-dimensional (2D) nano-bands with graphene-like atom arrangement in the structure of the solar cells is of significant importance for the next generation of solar cells. In the present research, germanene (2D structure consisting of germanium atoms) was placed in ITO/germanene (1, 2, 3)/<span>({hbox {MoS}}_{2})</span> (n)/a-SiGe: H (i)/c-Si (P)/Au heterojunction solar cell structures once as semiconductor layers with Al (germanene1), P (germanene2), and In (germanene3) dopant, separately. Then, the free-standing germanene was used as front contact in a structure consisting of germanene/<span>({hbox {MoS}}_{2})</span> (n)/a-SiGe: H (i)/c-Si (P)/Au of the heterojunction cell. The impacts of different radiant intensities at 300 K temperature by the AM1.5 spectrum radiation were investigated using the AFORS-HET simulation tool. The highest efficiency was obtained in the presence of the germanene2 layer, which was 18.64%, 17.78%, and 19.56%, respectively, in 1 sun, 0.1 sun, and 100 sun radiant intensities. By applying the free-standing germanene in the structure of the proposed cell, the efficiency in radiant intensities of 1 sun, 0.1 sun, and 50 sun were 26.98%, 25.87%, and 27.99%, respectively. The results suggest that this 2D structure can improve the cell’s output parameters, especially the efficiency, positively affecting the solar cell function due to its monoatomic thickness. Therefore, germanene can be an emerging competitor to other 2D structures used in the structure of solar cells.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"991 - 999"},"PeriodicalIF":2.2,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141770958","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":"Effect of interlayer spacing on the electronic and optical properties of SnS2/graphene/SnS2 sandwich heterostructure: a density functional theory study","authors":"David O. Idisi,&nbsp;Evans M. Benecha,&nbsp;Bonex Mwakikunga,&nbsp;Joseph K. O. Asante","doi":"10.1007/s10825-024-02202-4","DOIUrl":"10.1007/s10825-024-02202-4","url":null,"abstract":"<div><p>The formation of metal dichalcogenide heterostructures enables tailoring their properties for future optoelectronics and energy storage. The current paper focuses on the study of the effect of interlayer spacing on the electronic and optical properties of SnS₂/graphene/SnS₂ sandwich heterostructure, using density functional theory electronic structure calculations. We find low cohesive energies/ per atom (<span>(0.0506 to 0.0514)</span> eV) for all the various interlayer spacing configurations (1–5 Å) considered in this study, implying the feasibility of experimental realization. The Mulliken charge transfer analysis suggests negative to positive net charge (<span>(-0.12 to 0.18)</span>) transfer for 1–3 Å threshold interlayer spacing, which implies acceptor and donor charge transfer configurations. The density of states of SnS₂/graphene/SnS₂ retains unoccupied states for all the interlayer spacing configurations, which can be attributed to localized exciton states and strong electronic coupling between the electrons within the heterostructure layers. We further find a strong optical response and localized electronic transport, which can pave the way for optoelectronic applications of this material heterostructure.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"1029 - 1038"},"PeriodicalIF":2.2,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-024-02202-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141744207","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":"Feasibility of a 9 THz HgTe/HgCdTe quantum-well vertical-cavity surface-emitting laser","authors":"A. A. Dubinov,&nbsp;V. Ya. Aleshkin","doi":"10.1007/s10825-024-02198-x","DOIUrl":"10.1007/s10825-024-02198-x","url":null,"abstract":"<div><p>We propose an original design for a HgCdTe-based terahertz vertical-cavity surface-emitting laser with twenty 5 nm HgTe quantum wells. Feasibility of laser generation at 9 THz and a lattice temperature of 8 K is shown. The estimate of the threshold pump intensity using laser radiation at a wavelength of 5 μm is 3 W/cm², which makes it possible to expect continuous wave (CW) mode lasing. Such a low required pump intensity will make it possible to create a very compact system of a laser pumped by CW mid-infrared quantum cascade laser.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"986 - 990"},"PeriodicalIF":2.2,"publicationDate":"2024-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141609984","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":"Enhancing the analysis of external quantum efficiency in OLEDs utilizing thin transport layer materials","authors":"P. Santhoshini,&nbsp;K. HelenPrabha","doi":"10.1007/s10825-024-02197-y","DOIUrl":"10.1007/s10825-024-02197-y","url":null,"abstract":"<div><p>OLED technology, a revolutionary approach to display and lighting, offers thin, flexible, and vibrant solutions that redefine the visual experience in various devices. External quantum efficiency, a key metric, provides valuable insights into how effectively these devices convert electrical energy into light, guiding efforts to enhance efficiency and optimize OLED technology. This crucial factor, often affected by charge imbalance, non-radiative processes, energy losses, material limitations, device architecture, and design, can be significantly improved. The choice of material selection can impact the ability of the OLED to convert injected charges into light effectively. The transport layers facilitate the movement of charge carriers (electrons and holes) within the device, influencing light emission efficiency. In this proposed work, the introduction of organic materials in electron and hole transport layers can potentially improve the external quantum efficiency by up to 11.2%, a significant advancement that can be analyzed through electrical and optical characterization.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"977 - 985"},"PeriodicalIF":2.2,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141586091","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}